CCOC(=O)CN1CC2=CC=CC=C2CC(C1=O)N3C(=O)C4=CC=CC=C4C3=O
Name: ethyl 2-[(4S)-4-(1,3-dioxoisoindol-2-yl)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetate
SMILES: CCOC(=O)CN1CC2=CC=CC=C2CC(C1=O)N3C(=O)C4=CC=CC=C4C3=O

Molecular Processing

Molecular formula
C22H20N2O5
Molecular weight
392.41
Exact mass
392.1372
XLogP
1.8
TPSA
83.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
102.93

Supplementary Information

InChIKey: NPKGSRZALCDFBA-SFHVURJKSA-N
Synonyme
NPKGSRZALCDFBA-SFHVURJKSA-N(S)-1,3,4,5-tetrahydro-4-phthalimido-3-oxo-2 H-2-benzazepine-2-acetic acid, ethyl ester(S)-1,3,4,5-tetrahydro-4-phthalimido-3-oxo-2H-2-benzazepine-2-acetic acid, ethyl ester
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