2-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl propanoate
Chemical Structure Depiction of
2-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl propanoate
2-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl propanoate
Compound characteristics
| Compound ID: | K786-2872 |
| Compound Name: | 2-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl propanoate |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | CCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2811 |
| logD: | 4.2811 |
| logSw: | -4.2884 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.709 |
| InChI Key: | ZJJJTFWRLDJERZ-UHFFFAOYSA-N |