1,3-dimethyl-7-(2-oxo-2-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-(2-oxo-2-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-(2-oxo-2-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | P218-3553 |
| Compound Name: | 1,3-dimethyl-7-(2-oxo-2-{2-[3-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 501.47 |
| Molecular Formula: | C23 H22 F3 N7 O3 |
| Smiles: | CN1C(c2c(ncn2CC(N2CCCn3c(C2)cc(c2cccc(c2)C(F)(F)F)n3)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8572 |
| logD: | 1.8572 |
| logSw: | -2.2348 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.883 |
| InChI Key: | FXNNRTWIFMRIAH-UHFFFAOYSA-N |