2-{[4-nitro-7-(propylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}ethyl acetate
Chemical Structure Depiction of
2-{[4-nitro-7-(propylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}ethyl acetate
2-{[4-nitro-7-(propylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}ethyl acetate
Compound characteristics
| Compound ID: | K786-1535 |
| Compound Name: | 2-{[4-nitro-7-(propylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}ethyl acetate |
| Molecular Weight: | 340.36 |
| Molecular Formula: | C13 H16 N4 O5 S |
| Smiles: | CCCSc1cc(c(c2c1non2)[N+]([O-])=O)NCCOC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5564 |
| logD: | 3.5564 |
| logSw: | -3.8688 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.678 |
| InChI Key: | RTMGFPKMRPKUOS-UHFFFAOYSA-N |