2-({4-nitro-7-[(3-phenylpropyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Chemical Structure Depiction of
2-({4-nitro-7-[(3-phenylpropyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
2-({4-nitro-7-[(3-phenylpropyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Compound characteristics
| Compound ID: | K786-1548 |
| Compound Name: | 2-({4-nitro-7-[(3-phenylpropyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C19 H20 N4 O5 S |
| Smiles: | CC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2935 |
| logD: | 5.2935 |
| logSw: | -5.1654 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.406 |
| InChI Key: | ORSGKWRREWPZMR-UHFFFAOYSA-N |