2-(3-nitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-nitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(3-nitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1168 |
| Compound Name: | 2-(3-nitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 512.49 |
| Molecular Formula: | C26 H23 F3 N4 O4 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8881 |
| logD: | 3.8881 |
| logSw: | -4.2472 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.217 |
| InChI Key: | AKWRFUVTMQVXAW-UHFFFAOYSA-N |