이름: 1-(2-methoxyethoxy)methyl-2,6-dimethyl-3,5-di(carbomethoxy)-4-(3-nitrophenyl)-1,4-dihydropyridine
SMILES:
COCCOCN1C(C)=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1CMolecular Processing
Molecular formula
C21H26N2O8
Molecular weight
434.45
Exact mass
434.1689
XLogP
2.51
TPSA
117.44
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
109.8
Supplementary Information
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