CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N.Cl
Name: methyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate;hydrochloride
SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N.Cl

Molecular Processing

Molecular formula
C27H29ClN6O3
Molecular weight
521.02
Exact mass
520.199
XLogP
4.1
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
0.185
Molar refractivity
147.5

Supplementary Information

InChIKey: WQEIZZFYLKKIEH-UHFFFAOYSA-N
Synonyme
SCHEMBL6779370WQEIZZFYLKKIEH-UHFFFAOYSA-N1-methyl-2-[n-(4-amidinophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-n-phenyl-n-(2-methoxycarbonylethyl)-amide-hydrochloride1-methyl-2-[N-(4-amidinophenyl)amino methyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(2-methoxycarbonylethyl)amide hydrochloride1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(2-methoxycarbonylethyl)amide Hydrochloride
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