COC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)Cl)NC(=O)C2C(=O)OC
Название: methyl 7-chloro-4-(4-methoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate
SMILES: COC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)Cl)NC(=O)C2C(=O)OC

Molecular Processing

Molecular formula
C19H18ClNO4
Molecular weight
359.81
Exact mass
359.0924
XLogP
3.42
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
95.03

Supplementary Information

InChIKey: BUZMABSTULEOJD-UHFFFAOYSA-N
Синонимы
SCHEMBL7283479BUZMABSTULEOJD-UHFFFAOYSA-N7-Chloro-1,3,4,5-tetrahydro-3-(methoxycarbonyl)-4-(4 methoxyphenyl)-2H-1-benzazepin-2-one7-Chloro-1,3,4,5-tetrahydro-3-(methoxycarbonyl)-4-(4-methoxyphenyl)-2H-1-benzazepin-2-one
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