ethyl 2-{[(2-cyanophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-cyanophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
ethyl 2-{[(2-cyanophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
Compound ID: | V008-9378 |
Compound Name: | ethyl 2-{[(2-cyanophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate |
Molecular Weight: | 437.56 |
Molecular Formula: | C24 H27 N3 O3 S |
Salt: | not_available |
Smiles: | CCOC(c1ccc2c(c1)nc(n2CCCOC(C)C)SCc1ccccc1C#N)=O |
Stereo: | ACHIRAL |
logP: | 5.3007 |
logD: | 5.2993 |
logSw: | -5.1249 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 55.738 |
InChI Key: | QWBZAVBBRLPAMP-UHFFFAOYSA-N |