2-(methyl{4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Chemical Structure Depiction of
2-(methyl{4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
2-(methyl{4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Compound characteristics
| Compound ID: | K784-6236 |
| Compound Name: | 2-(methyl{4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol |
| Molecular Weight: | 391.36 |
| Molecular Formula: | C15 H13 N5 O6 S |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6014 |
| logD: | 3.6014 |
| logSw: | -4.0553 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.548 |
| InChI Key: | FMUMRTXWWFAJPO-UHFFFAOYSA-N |