Название: 1-Methyl-2-[N-(4-amidinophenyl)-N-methyl-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(3-pyridyl)-N-(2-ethoxycarbonylethyl)-amide-hydrochloride
SMILES:
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CN(C)c1ccc(C(=N)N)cc1)n2C)c1cccnc1.ClMolecular Processing
Molecular formula
C28H32ClN7O3
Molecular weight
550.06
Exact mass
549.2255
XLogP
3.91
TPSA
130.43
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
39
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
0.25
Molar refractivity
154.69
Supplementary Information
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