Nom: 1-Methyl-2-[N-(4-cyanophenyl)-N-methyl-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(3-pyridyl)-N-(2-ethoxycarbonylethyl)-amide
SMILES:
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CN(C)c1ccc(C#N)cc1)n2C)c1cccnc1Molecular Processing
Molecular formula
C28H28N6O3
Molecular weight
496.57
Exact mass
496.2223
XLogP
4.08
TPSA
104.35
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
141.14
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→