Name: 1-methyl-2-[N-(4-cyanophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(4-fluorophenyl)-N-(2-ethoxycarbonylethyl)-amide
SMILES:
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C)c1ccc(F)cc1Molecular Processing
Molecular formula
C28H26FN5O3
Molecular weight
499.55
Exact mass
499.202
XLogP
4.8
TPSA
100.25
H-bond donors
1
H-bond acceptors
6
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
0.214
Molar refractivity
138.52
Supplementary Information
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Involved in 2 reactions→