3-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Chemical Structure Depiction of
3-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
3-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Compound characteristics
| Compound ID: | K786-2876 |
| Compound Name: | 3-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate |
| Molecular Weight: | 354.38 |
| Molecular Formula: | C14 H18 N4 O5 S |
| Smiles: | CC(C)Sc1cc(c(c2c1non2)[N+]([O-])=O)NCCCOC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6562 |
| logD: | 3.6562 |
| logSw: | -3.9692 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.678 |
| InChI Key: | QDFVTWXWAOOYCL-UHFFFAOYSA-N |