Nombre: 2,6-dimethyl-3-carbomethoxy-4-(3-nitrophenyl)-5-(3-[4-(2-tetrahydropyran-2-yloxyethyl)phenoxy]propoxycarbonyl)-1,4-dihydropyridine
SMILES:
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCOc2ccc(CCOC3CCCCO3)cc2)C1c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C32H38N2O9
Molecular weight
594.66
Exact mass
594.2577
XLogP
5.1
TPSA
135.46
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
13
Heavy atoms
43
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
157.15
Supplementary Information
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