2-({7-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Chemical Structure Depiction of
2-({7-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
2-({7-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Compound characteristics
| Compound ID: | K784-6194 |
| Compound Name: | 2-({7-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol |
| Molecular Weight: | 402.39 |
| Molecular Formula: | C16 H14 N6 O5 S |
| Smiles: | COc1ccc2c(c1)nc([nH]2)Sc1cc(c(c2c1non2)[N+]([O-])=O)NCCO |
| Stereo: | ACHIRAL |
| logP: | 2.9014 |
| logD: | 2.9002 |
| logSw: | -3.4244 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.469 |
| InChI Key: | FOLCWYWNVKUNMQ-UHFFFAOYSA-N |