Name: methyl 1-[(2,3-dichlorophenyl)methyl]-6-(4-morpholinyl)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylate
SMILES:
COC(=O)c1cc(N2CCOCC2)cc2c1nc(C(F)(F)F)n2Cc1cccc(Cl)c1ClMolecular Processing
Molecular formula
C21H18Cl2F3N3O3
Molecular weight
488.29
Exact mass
487.0677
XLogP
5.03
TPSA
56.59
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
114.67
Supplementary Information
Details werden geladen…
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