Название: 7-chloro-1,3,4,5-tetrahydro3-hydroxy-3-(methoxycarbonyl)-4-(4-methoxyphenyl)-2H-1-benzazepin-2-one
SMILES:
COC(=O)C1(O)C(=O)Nc2ccc(Cl)cc2CC1c1ccc(OC)cc1Molecular Processing
Molecular formula
C19H18ClNO5
Molecular weight
375.81
Exact mass
375.0874
XLogP
2.53
TPSA
84.86
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
96.49
Supplementary Information
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