4-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazole
Chemical Structure Depiction of
4-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazole
4-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazole
Compound characteristics
| Compound ID: | K034-0129 |
| Compound Name: | 4-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazole |
| Molecular Weight: | 438.32 |
| Molecular Formula: | C17 H13 F3 N6 O5 |
| Smiles: | C1CN(CCN1c1ccc(cc1[N+]([O-])=O)C(F)(F)F)c1ccc2c(c1[N+]([O-])=O)non2 |
| Stereo: | ACHIRAL |
| logP: | 4.6895 |
| logD: | 4.6895 |
| logSw: | -4.8927 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 108.299 |
| InChI Key: | YFTMHKVPXCZSKZ-UHFFFAOYSA-N |