1-[2-(3,4-diethoxyphenyl)ethyl]-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[2-(3,4-diethoxyphenyl)ethyl]-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1-[2-(3,4-diethoxyphenyl)ethyl]-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8013-2054 |
| Compound Name: | 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 576.52 |
| Molecular Formula: | C24 H22 F6 N4 O4 S |
| Smiles: | CCOc1ccc(CCN2C3=C(C(NC2=O)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c2cccs2)N3)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.4918 |
| logD: | 4.4668 |
| logSw: | -4.249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.756 |
| InChI Key: | DCXWNPKJZITEKN-UHFFFAOYSA-N |