ethyl [(6-{[3-(acetyloxy)propyl]amino}-7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(6-{[3-(acetyloxy)propyl]amino}-7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]acetate
ethyl [(6-{[3-(acetyloxy)propyl]amino}-7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | K786-2950 |
| Compound Name: | ethyl [(6-{[3-(acetyloxy)propyl]amino}-7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]acetate |
| Molecular Weight: | 398.39 |
| Molecular Formula: | C15 H18 N4 O7 S |
| Smiles: | CCOC(CSc1cc(c(c2c1non2)[N+]([O-])=O)NCCCOC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8545 |
| logD: | 2.8545 |
| logSw: | -3.286 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.836 |
| InChI Key: | GQLCSQKXVXBOEW-UHFFFAOYSA-N |