Molecule ID: 6603799

IUPAC Name: (5S)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Description: The molecule is a 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol that is the S-enantiomer of SKF 38393. It is a conjugate base of a (S)-SKF 38393(1+). It is an enantiomer of a (R)-SKF 38393.

SMILES: Oc1cc2c(cc1O)[C@H](c1ccccc1)CNCC2

SELFIES: [O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][Ring1][S]

InChI: InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 52.5 Ų
- LogP: 2.5