1,3-dimethyl-6-{2-[3-(trifluoromethyl)phenoxy]ethyl}-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,3-dimethyl-6-{2-[3-(trifluoromethyl)phenoxy]ethyl}-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1,3-dimethyl-6-{2-[3-(trifluoromethyl)phenoxy]ethyl}-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C612-1302 |
| Compound Name: | 1,3-dimethyl-6-{2-[3-(trifluoromethyl)phenoxy]ethyl}-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 384.36 |
| Molecular Formula: | C17 H19 F3 N4 O3 |
| Smiles: | CN1C2=C(CN(CCOc3cccc(c3)C(F)(F)F)CN2)C(N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3325 |
| logD: | 2.3059 |
| logSw: | -2.9224 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.602 |
| InChI Key: | FZIZTZPWQLXCCE-UHFFFAOYSA-N |