ethyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
ethyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V007-0696 |
| Compound Name: | ethyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccccn1)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0958 |
| logD: | 4.9265 |
| logSw: | -4.9859 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.156 |
| InChI Key: | MDFXXVCVQMMPLW-UHFFFAOYSA-N |