Nom: 1-cyclopropyl-2-[N-(4-amidinophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)-amide-hydrochloride
SMILES:
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C1CC1)c1ccccc1.ClMolecular Processing
Molecular formula
C30H33ClN6O3
Molecular weight
561.09
Exact mass
560.2303
XLogP
5.29
TPSA
126.33
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.267
Molar refractivity
159.41
Supplementary Information
Récupération des détails…
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