ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-{[(2-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-{[(2-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-{[(2-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V008-2645 |
| Compound Name: | ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-{[(2-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2CCc1ccc(cc1)OC)SCc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5556 |
| logD: | 6.5546 |
| logSw: | -5.6224 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.834 |
| InChI Key: | VNUSJOGFQFNXRW-UHFFFAOYSA-N |