ethyl 2-{[(5-methyl-2-nitrophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(5-methyl-2-nitrophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
ethyl 2-{[(5-methyl-2-nitrophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V008-3141 |
| Compound Name: | ethyl 2-{[(5-methyl-2-nitrophenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C24 H22 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccccn1)SCc1cc(C)ccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6372 |
| logD: | 5.4678 |
| logSw: | -5.4249 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.855 |
| InChI Key: | VFMNSBPZMMQIBE-UHFFFAOYSA-N |