8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0082 |
| Compound Name: | 8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 397.35 |
| Molecular Formula: | C17 H18 F3 N5 O3 |
| Smiles: | CN1C(c2c(nc(NCCO)n2Cc2cccc(c2)C(F)(F)F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3461 |
| logD: | 2.3459 |
| logSw: | -2.9171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.615 |
| InChI Key: | YVBOFCXGNQKZCD-UHFFFAOYSA-N |