2-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Chemical Structure Depiction of
2-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
2-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Compound characteristics
| Compound ID: | K786-1547 |
| Compound Name: | 2-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate |
| Molecular Weight: | 419.37 |
| Molecular Formula: | C16 H13 N5 O7 S |
| Smiles: | CC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2378 |
| logD: | 4.2378 |
| logSw: | -4.4509 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 133.788 |
| InChI Key: | NEANBEMZVPIQND-UHFFFAOYSA-N |