1,3-dimethyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4606-1791 |
| Compound Name: | 1,3-dimethyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 450.42 |
| Molecular Formula: | C20 H21 F3 N6 O3 |
| Smiles: | CN1C(c2c(ncn2CC(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3799 |
| logD: | 1.3799 |
| logSw: | -2.0406 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.613 |
| InChI Key: | XDLRMKBPWTXJKP-UHFFFAOYSA-N |