3-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propyl acetate
Chemical Structure Depiction of
3-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propyl acetate
3-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propyl acetate
Compound characteristics
| Compound ID: | K786-2951 |
| Compound Name: | 3-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propyl acetate |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | CC(=O)OCCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9679 |
| logD: | 3.9679 |
| logSw: | -4.1983 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.406 |
| InChI Key: | QZILTFDMODMPSA-UHFFFAOYSA-N |