이름: 2,6-dimethyl-3-methoxycarbonyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-5-carboxylic acid 4-chlorobenzyl ester
SMILES:
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc(Cl)cc2)C1c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C23H21ClN2O6
Molecular weight
456.88
Exact mass
456.1088
XLogP
4.4
TPSA
107.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
117.64
Supplementary Information
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