Name: N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]-4-methylphenyl}(4-cyanophenyl)carboxamide
SMILES:
Cc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1Molecular Processing
Molecular formula
C21H15ClN4O2
Molecular weight
390.83
Exact mass
390.0884
XLogP
4.42
TPSA
94.88
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
107.49
Supplementary Information
Details werden geladen…
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