이름: 3-methyl-2-[(4-cyanophenyl)thiomethyl]-imidazo[4,5-b]pyridin-6-yl-carboxylic acid-N-phenyl-N-(2-methoxycarbonylethyl)-amide
SMILES:
COC(=O)CCN(C(=O)c1cnc2c(c1)nc(CSc1ccc(C#N)cc1)n2C)c1ccccc1Molecular Processing
Molecular formula
C26H23N5O3S
Molecular weight
485.57
Exact mass
485.1522
XLogP
4.34
TPSA
101.11
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
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
0.192
Molar refractivity
133.98
Supplementary Information
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