1-(4-fluorophenyl)-7-(3-nitrophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-(4-fluorophenyl)-7-(3-nitrophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1-(4-fluorophenyl)-7-(3-nitrophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 6259-7160 |
| Compound Name: | 1-(4-fluorophenyl)-7-(3-nitrophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 517.32 |
| Molecular Formula: | C20 H10 F7 N5 O4 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C1NC2=C(C(NC(N2c2ccc(cc2)F)=O)=O)C(C(F)(F)F)(C(F)(F)F)N=1 |
| Stereo: | ACHIRAL |
| logP: | 3.9637 |
| logD: | 3.3211 |
| logSw: | -4.3205 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.109 |
| InChI Key: | QQHRWXVNZJQVNR-UHFFFAOYSA-N |