1-(4-chlorophenyl)-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-(4-chlorophenyl)-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1-(4-chlorophenyl)-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8013-2700 |
| Compound Name: | 1-(4-chlorophenyl)-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 494.8 |
| Molecular Formula: | C18 H9 Cl F6 N4 O2 S |
| Smiles: | c1cc(C2NC3=C(C(NC(N3c3ccc(cc3)[Cl])=O)=O)C(C(F)(F)F)(C(F)(F)F)N=2)sc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4319 |
| logD: | 4.4186 |
| logSw: | -4.8261 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.746 |
| InChI Key: | IERBRJDFXHFKCL-UHFFFAOYSA-N |