2-({4-nitro-7-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
Chemical Structure Depiction of
2-({4-nitro-7-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
2-({4-nitro-7-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
Compound characteristics
| Compound ID: | K786-3469 |
| Compound Name: | 2-({4-nitro-7-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C19 H16 N6 O5 S2 |
| Smiles: | CCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nnc(c2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1982 |
| logD: | 5.1982 |
| logSw: | -4.9777 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.303 |
| InChI Key: | QIUPKIGVOWLWCW-UHFFFAOYSA-N |