이름: 1-methyl-2-[N-(4-cyanophenyl)-N-(n-butyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)-amide
SMILES:
CCCCN(Cc1nc2cc(C(=O)N(CCC(=O)OCC)c3ccccc3)ccc2n1C)c1ccc(C#N)cc1Molecular Processing
Molecular formula
C32H35N5O3
Molecular weight
537.66
Exact mass
537.274
XLogP
5.85
TPSA
91.46
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
157.2
Supplementary Information
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