ethyl 1-(3-ethoxypropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 1-(3-ethoxypropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
ethyl 1-(3-ethoxypropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V008-9358 |
| Compound Name: | ethyl 1-(3-ethoxypropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCOCCCn1c2ccc(cc2nc1SCc1cccc(c1)[N+]([O-])=O)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.1902 |
| logD: | 5.1888 |
| logSw: | -5.0331 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.84 |
| InChI Key: | KYPQXVCVQNLTKU-UHFFFAOYSA-N |