N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-qu...
C24H25ClFN5O3
439081-18-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  34 37 0 0 1
M  V30 BEGIN ATOM
M  V30 1 N 5.3348 10.7802 0.0 0
M  V30 2 N 9.3360 6.9302 0.0 0
M  V30 3 C 8.0023 6.1601 0.0 0
M  V30 4 C 8.0023 4.6201 0.0 0
M  V30 5 O 6.6687 6.9302 0.0 0
M  V30 6 C 6.6687 3.8501 0.0 0
M  V30 7 C 6.6687 2.3101 0.0 0
M  V30 8 N 5.3348 1.5400 0.0 0
M  V30 9 C 5.3348 0.0000 0.0 0
M  V30 10 C 4.0012 2.3101 0.0 0
M  V30 11 O 12.0035 8.4702 0.0 0
M  V30 12 Cl 0.0000 10.7802 0.0 0
M  V30 13 F 0.0000 13.8603 0.0 0
M  V30 14 C 8.0023 10.7802 0.0 0
M  V30 15 C 9.3360 11.5503 0.0 0
M  V30 16 C 6.6687 11.5503 0.0 0
M  V30 17 C 8.0023 9.2402 0.0 0
M  V30 18 C 10.6697 10.7802 0.0 0
M  V30 19 N 9.3360 13.0903 0.0 0
M  V30 20 N 6.6687 13.0903 0.0 0
M  V30 21 C 9.3360 8.4702 0.0 0
M  V30 22 C 10.6697 9.2402 0.0 0
M  V30 23 C 8.0023 13.8603 0.0 0
M  V30 24 C 4.0012 11.5503 0.0 0
M  V30 25 C 2.6675 10.7802 0.0 0
M  V30 26 C 4.0012 13.0903 0.0 0
M  V30 27 C 1.3338 11.5503 0.0 0
M  V30 28 C 2.6675 13.8603 0.0 0
M  V30 29 C 1.3338 13.0903 0.0 0
M  V30 30 C 13.3372 9.2402 0.0 0 CFG=2
M  V30 31 C 14.7440 8.6139 0.0 0
M  V30 32 C 13.4981 10.7718 0.0 0
M  V30 33 C 15.7746 9.7583 0.0 0
M  V30 34 O 15.0045 11.0919 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 16
M  V30 2 1 1 24
M  V30 3 1 2 3
M  V30 4 1 2 21
M  V30 5 1 3 4
M  V30 6 2 3 5
M  V30 7 2 4 6 CFG=2
M  V30 8 1 6 7
M  V30 9 1 7 8
M  V30 10 1 8 9
M  V30 11 1 8 10
M  V30 12 1 11 22
M  V30 13 1 30 11 CFG=3
M  V30 14 1 12 27
M  V30 15 1 13 29
M  V30 16 2 14 15
M  V30 17 1 14 16
M  V30 18 1 14 17
M  V30 19 1 15 18
M  V30 20 1 15 19
M  V30 21 2 16 20
M  V30 22 2 17 21
M  V30 23 2 18 22
M  V30 24 2 19 23
M  V30 25 1 20 23
M  V30 26 1 21 22
M  V30 27 2 24 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 2 26 28
M  V30 31 2 27 29
M  V30 32 1 28 29
M  V30 33 1 30 31
M  V30 34 1 30 32
M  V30 35 1 31 33
M  V30 36 1 32 34
M  V30 37 1 33 34
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 30)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
439081-18-2

> <cas.index.name>
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-

> <molecular.formula>
C24H25ClFN5O3

> <molecular.weight>
485.94

> <boiling.point.predicted>
676.9±55.0 °C    Press: 760 Torr

> <density.predicted>
1.380±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.06±0.43    Most Acidic Temp: 25 °C

$$$$
