2-({7-[(3-methylbutyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Chemical Structure Depiction of
2-({7-[(3-methylbutyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
2-({7-[(3-methylbutyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Compound characteristics
| Compound ID: | K784-6199 |
| Compound Name: | 2-({7-[(3-methylbutyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C13 H18 N4 O4 S |
| Smiles: | CC(C)CCSc1cc(c(c2c1non2)[N+]([O-])=O)NCCO |
| Stereo: | ACHIRAL |
| logP: | 3.5028 |
| logD: | 3.5028 |
| logSw: | -3.9988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.184 |
| InChI Key: | FWMLSXBSPIIDFE-UHFFFAOYSA-N |