이름: 1-methyl-2-[N-(4-cyanophenyl)-N-methyl-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)-amide
SMILES:
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CN(C)c1ccc(C#N)cc1)n2C)c1ccccc1Molecular Processing
Molecular formula
C29H29N5O3
Molecular weight
495.58
Exact mass
495.227
XLogP
4.68
TPSA
91.46
H-bond donors
0
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
8
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
143.35
Supplementary Information
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