이름: 3-methyl-2-[(4-amidinophenyl)-thiomethyl]-imidazo[4,5-b]pyridin-6-yl-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)-amide-hydrochloride
SMILES:
CCOC(=O)CCN(C(=O)c1cnc2c(c1)nc(CSc1ccc(C(=N)N)cc1)n2C)c1ccccc1.ClMolecular Processing
Molecular formula
C27H29ClN6O3S
Molecular weight
553.09
Exact mass
552.171
XLogP
4.57
TPSA
127.19
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.222
Molar refractivity
152.14
Supplementary Information
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