이름: (S)-2-tert-butoxy-2-(5-(4-chlorophenyl)-2-((dimethylamino)methyl)-7-methylquinolin-6-yl)acetic acid
SMILES:
Cc1cc2nc(CN(C)C)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)OMolecular Processing
Molecular formula
C25H29ClN2O3
Molecular weight
440.97
Exact mass
440.1867
XLogP
5.87
TPSA
62.66
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
125.53
Supplementary Information
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