ethyl 2-{[(3-cyanophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-cyanophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
ethyl 2-{[(3-cyanophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V006-4962 |
| Compound Name: | ethyl 2-{[(3-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)SCc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0728 |
| logD: | 5.0714 |
| logSw: | -4.7374 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.738 |
| InChI Key: | UURQXEWSQJEWOX-UHFFFAOYSA-N |