1-(3-methylbutyl)-3-[4-(propan-2-yl)phenyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-(3-methylbutyl)-3-[4-(propan-2-yl)phenyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1-(3-methylbutyl)-3-[4-(propan-2-yl)phenyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-8427 |
| Compound Name: | 1-(3-methylbutyl)-3-[4-(propan-2-yl)phenyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C27 H29 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2cccc(c2)C(F)(F)F)N(C1=O)c1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0794 |
| logD: | 6.0794 |
| logSw: | -5.6765 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | KODWHNNQRGTVBN-UHFFFAOYSA-N |