3-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Chemical Structure Depiction of
3-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
3-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Compound characteristics
| Compound ID: | K786-2881 |
| Compound Name: | 3-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate |
| Molecular Weight: | 433.4 |
| Molecular Formula: | C17 H15 N5 O7 S |
| Smiles: | CC(=O)OCCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3607 |
| logD: | 4.3607 |
| logSw: | -4.4047 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 133.788 |
| InChI Key: | KTPALSCVAPIRAM-UHFFFAOYSA-N |