ethyl 1-benzyl-2-{[(2-cyanophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 1-benzyl-2-{[(2-cyanophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
ethyl 1-benzyl-2-{[(2-cyanophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V006-3380 |
| Compound Name: | ethyl 1-benzyl-2-{[(2-cyanophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C25 H21 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccccc1)SCc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1846 |
| logD: | 6.1775 |
| logSw: | -5.4917 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.287 |
| InChI Key: | BQCJKENXRAQCKO-UHFFFAOYSA-N |