ethyl 2-{[(3-cyanophenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-cyanophenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-benzimidazole-5-carboxylate
ethyl 2-{[(3-cyanophenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V006-5101 |
| Compound Name: | ethyl 2-{[(3-cyanophenyl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C25 H20 F N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1cccc(c1)F)SCc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0788 |
| logD: | 6.0717 |
| logSw: | -5.5416 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.287 |
| InChI Key: | QZNKTFHAYHQDTE-UHFFFAOYSA-N |