N-[4-(4-Fluoro-2-methylphenyl)-6-[(7S,9aS)-hexahydro-7-(hydroxymethyl)pyrazin...
C33H35F7N4O3
929046-33-3 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
929046-33-3

> <ca.index.name>
Benzeneacetamide, N-[4-(4-fluoro-2-methylphenyl)-6-[(7S,9aS)-hexahydro-7-(hydroxymethyl)pyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl]-N,α,α-trimethyl-3,5-bis(trifluoromethyl)-

> <molecular.formula>
C33H35F7N4O3

> <smiles.canonical>
O=C(N(C1=CN=C(C=C1C=2C=CC(F)=CC2C)N3CC4N(CCOC4)CC3CO)C)C(C=5C=C(C=C(C5)C(F)(F)F)C(F)(F)F)(C)C

> <smiles.isomeric>
N(C(C(C)(C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=O)(C)C=2C(=CC(=NC2)N3[C@H](CO)CN4[C@@](C3)(COCC4)[H])C5=C(C)C=C(F)C=C5

> <molecular.weight>
668.65

> <boiling.point.predicted>
672.080±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.402±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.575±0.10    Most Acidic Temp: 25 °C

$$$$
