2-(methyl{4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Chemical Structure Depiction of
2-(methyl{4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
2-(methyl{4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Compound characteristics
| Compound ID: | K786-1532 |
| Compound Name: | 2-(methyl{4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate |
| Molecular Weight: | 354.38 |
| Molecular Formula: | C14 H18 N4 O5 S |
| Smiles: | CC(C)Sc1cc(c(c2c1non2)[N+]([O-])=O)N(C)CCOC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4976 |
| logD: | 3.4976 |
| logSw: | -4.0087 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.932 |
| InChI Key: | XNHZVAYFCZQGAW-UHFFFAOYSA-N |