2-({7-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
Chemical Structure Depiction of
2-({7-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
2-({7-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
Compound characteristics
| Compound ID: | K786-2863 |
| Compound Name: | 2-({7-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate |
| Molecular Weight: | 398.39 |
| Molecular Formula: | C15 H18 N4 O7 S |
| Smiles: | CCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.1677 |
| logD: | 3.1677 |
| logSw: | -3.4847 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.14 |
| InChI Key: | NOWJMAPOLPOGSJ-UHFFFAOYSA-N |