Nombre: 2-[(7S)-6-oxo-2,7,8,12b-tetrahydro-1H-pyrido[2,1-a][2]benzazepin-7-yl]isoindole-1,3-dione

SMILES: C1CC2C3=CC=CC=C3CC(C(=O)N2C=C1)N4C(=O)C5=CC=CC=C5C4=O

Molecular Processing

Molecular formula

C22H18N2O3

Molecular weight

358.4

Exact mass

358.1317

XLogP

3.08

TPSA

57.69

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.227

Molar refractivity

98.84

Supplementary Information

InChIKey: QADZTADIBLLKJP-GGYWPGCISA-N

Sinónimos

SCHEMBL8114789QADZTADIBLLKJP-GGYWPGCISA-N(S)-7-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)]-1,2,6,7,8,12b-hexahydro-6-oxopyrido[2,1-a][2]benzazepine