7-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8019-1040 |
| Compound Name: | 7-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 541.21 |
| Molecular Formula: | C20 H9 Cl2 F7 N4 O2 |
| Smiles: | c1cc(ccc1N1C2=C(C(NC1=O)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccc(cc1[Cl])[Cl])N2)F |
| Stereo: | ACHIRAL |
| logP: | 5.1412 |
| logD: | 3.8473 |
| logSw: | -5.7067 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.728 |
| InChI Key: | KDDRHRCFXGWQBS-UHFFFAOYSA-N |