7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 6259-7159 |
| Compound Name: | 7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 499.33 |
| Molecular Formula: | C20 H11 F6 N5 O4 |
| Smiles: | c1ccc(cc1)N1C2=C(C(NC1=O)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc(c1)[N+]([O-])=O)N2 |
| Stereo: | ACHIRAL |
| logP: | 3.8131 |
| logD: | 3.1705 |
| logSw: | -4.2272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.109 |
| InChI Key: | KEMMLRHVBGJNKF-UHFFFAOYSA-N |