ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-5-carboxylate
ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V006-1379 |
| Compound Name: | ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C27 H25 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2CCc1ccc(cc1)OC)SCc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8909 |
| logD: | 5.8899 |
| logSw: | -5.4599 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.81 |
| InChI Key: | CWMTYTWRLNJUOK-UHFFFAOYSA-N |