名称: 1-methyl-2-[2-(2-amidinothiophen-5-yl)ethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)-amide-hydrochloride
SMILES:
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CCc1ccc(C(=N)N)s1)n2C)c1ccccn1.ClMolecular Processing
Molecular formula
C26H29ClN6O3S
Molecular weight
541.08
Exact mass
540.171
XLogP
4.12
TPSA
127.19
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
37
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
0.269
Molar refractivity
147.87
Supplementary Information
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