1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-4811 |
| Compound Name: | 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C21 H24 F3 N5 O2 |
| Smiles: | CC1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6264 |
| logD: | 4.6262 |
| logSw: | -4.4983 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.697 |
| InChI Key: | KLXOKHGAAHMQPD-UHFFFAOYSA-N |