名称: 1-methyl-2-[2-(2-cyanothiophen-5-yl)ethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)-amide
SMILES:
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CCc1ccc(C#N)s1)n2C)c1ccccn1Molecular Processing
Molecular formula
C26H25N5O3S
Molecular weight
487.59
Exact mass
487.1678
XLogP
4.29
TPSA
101.11
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
35
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
0.269
Molar refractivity
134.32
Supplementary Information
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