Name: 2-methyl-4-(2'-chlorophenyl)-1,4-dihydropyridine-3,5,6-tricarboxylic acid triethyl ester
SMILES:
CCOC(=O)C1=C(C(=O)OCC)C(c2ccccc2Cl)C(C(=O)OCC)=C(C)N1Molecular Processing
Molecular formula
C21H24ClNO6
Molecular weight
421.88
Exact mass
421.1292
XLogP
3.24
TPSA
90.93
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
106.95
Supplementary Information
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