الاسم: 3-[2-(4-Chloro-phenyl)-ethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-3H-benzoimidazole-4-carboxylic acid methyl ester
SMILES:
COC(=O)c1cccc2nc(C(=O)NC3CCN(C(C)C)CC3)n(CCc3ccc(Cl)cc3)c12Molecular Processing
Molecular formula
C26H31ClN4O3
Molecular weight
483.01
Exact mass
482.2085
XLogP
4.32
TPSA
76.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
133.43
Supplementary Information
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