이름: 2,6-dimethyl-3-methoxycarbonyl-4-(2'-nitrophenyl)-1,4-dihydropyridine-5-carboxylic acid α-methyl-4-chlorobenzyl ester
SMILES:
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)c2ccc(Cl)cc2)C1c1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C24H23ClN2O6
Molecular weight
470.91
Exact mass
470.1245
XLogP
4.96
TPSA
107.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
122.35
Supplementary Information
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