الاسم: 2-chloromethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine
SMILES:
CCOC(=O)C1=C(C)NC(CCl)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C19H21ClN2O6
Molecular weight
408.84
Exact mass
408.1088
XLogP
3.17
TPSA
107.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
102.69
Supplementary Information
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