3-({7-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Chemical Structure Depiction of
3-({7-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
3-({7-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Compound characteristics
| Compound ID: | K784-6225 |
| Compound Name: | 3-({7-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol |
| Molecular Weight: | 416.41 |
| Molecular Formula: | C17 H16 N6 O5 S |
| Smiles: | COc1ccc2c(c1)nc([nH]2)Sc1cc(c(c2c1non2)[N+]([O-])=O)NCCCO |
| Stereo: | ACHIRAL |
| logP: | 2.8858 |
| logD: | 2.8846 |
| logSw: | -3.3838 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.469 |
| InChI Key: | RMFUBSCSPHTIMK-UHFFFAOYSA-N |