الاسم: 1-methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(2-methoxy-carbonylethyl)amide hydrochloride
SMILES:
COC(=C=O)CN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccc1.ClMolecular Processing
Molecular formula
C27H27ClN6O3
Molecular weight
519.01
Exact mass
518.1833
XLogP
3.9
TPSA
126.33
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.148
Molar refractivity
147.08
Supplementary Information
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