Nom: 5-(L-valinyl)amino-7-phenbutyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one hydrochloride
SMILES:
CC(C)[C@H](N)C(=O)NN1C(=O)C(CCCCc2ccccc2)c2ccccc2C2=C1C=CCC2.ClMolecular Processing
Molecular formula
C29H36ClN3O2
Molecular weight
494.08
Exact mass
493.2496
XLogP
5.52
TPSA
75.43
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.379
Molar refractivity
143.52
Supplementary Information
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