ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V008-2260 |
| Compound Name: | ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C24 H20 F N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1cccc(c1)F)SCc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5459 |
| logD: | 6.5388 |
| logSw: | -5.723 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.312 |
| InChI Key: | YTSHJPHGGZTKEJ-UHFFFAOYSA-N |