2-[(5-chloro-2-nitrophenyl)sulfanyl]-1H-benzimidazole
Chemical Structure Depiction of
2-[(5-chloro-2-nitrophenyl)sulfanyl]-1H-benzimidazole
2-[(5-chloro-2-nitrophenyl)sulfanyl]-1H-benzimidazole
Compound characteristics
| Compound ID: | 2023-0335 |
| Compound Name: | 2-[(5-chloro-2-nitrophenyl)sulfanyl]-1H-benzimidazole |
| Molecular Weight: | 305.74 |
| Molecular Formula: | C13 H8 Cl N3 O2 S |
| Smiles: | c1ccc2c(c1)nc([nH]2)Sc1cc(ccc1[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8084 |
| logD: | 3.7928 |
| logSw: | -4.3571 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.061 |
| InChI Key: | YQLXKPNEVRSMCI-UHFFFAOYSA-N |