1-(4-chlorophenyl)-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-(4-chlorophenyl)-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1-(4-chlorophenyl)-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8013-4121 |
| Compound Name: | 1-(4-chlorophenyl)-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 506.77 |
| Molecular Formula: | C20 H10 Cl F7 N4 O2 |
| Smiles: | c1ccc(c(c1)C1NC2=C(C(NC(N2c2ccc(cc2)[Cl])=O)=O)C(C(F)(F)F)(C(F)(F)F)N=1)F |
| Stereo: | ACHIRAL |
| logP: | 4.495 |
| logD: | 3.9971 |
| logSw: | -5.0315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.728 |
| InChI Key: | PVUHDCPFXSWKIP-UHFFFAOYSA-N |