Name: diethyl 4-[2-(4-aminobutoxy)-5-nitrophenyl]-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILES:
CCOC(=O)C1=C(C)NC(CC)=C(C(=O)OCC)C1c1cc([N+](=O)[O-])ccc1OCCCCNMolecular Processing
Molecular formula
C24H33N3O7
Molecular weight
475.54
Exact mass
475.2319
XLogP
3.46
TPSA
143.02
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
34
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
126.04
Supplementary Information
Details werden geladen…
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