Nombre: N-(6-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-3-cyanopyridin-2-yl)-N-isobutyl-2-methoxyacetamide
SMILES:
COCC(=O)N(CC(C)C)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#NMolecular Processing
Molecular formula
C25H22Cl3N3O2
Molecular weight
502.83
Exact mass
501.0778
XLogP
6.88
TPSA
66.22
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
133.92
Supplementary Information
Obteniendo detalles…
Participa en 2 reacciones→