Name: (2S)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
SMILES:
CC(=O)N1c2ccc(C(=O)O)cc2C(Nc2ccc(Cl)cc2)C[C@@H]1CMolecular Processing
Molecular formula
C19H19ClN2O3
Molecular weight
358.83
Exact mass
358.1084
XLogP
4.34
TPSA
69.64
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
98.46
Supplementary Information
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