2-({7-[(4-bromophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Chemical Structure Depiction of
2-({7-[(4-bromophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
2-({7-[(4-bromophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Compound characteristics
| Compound ID: | K786-1553 |
| Compound Name: | 2-({7-[(4-bromophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate |
| Molecular Weight: | 453.27 |
| Molecular Formula: | C16 H13 Br N4 O5 S |
| Smiles: | CC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.1461 |
| logD: | 5.1461 |
| logSw: | -5.0071 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.406 |
| InChI Key: | NBGFEDRQGXSBHK-UHFFFAOYSA-N |