1,3-dimethyl-7-(3-nitrophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,3-dimethyl-7-(3-nitrophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1,3-dimethyl-7-(3-nitrophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 6259-7152 |
| Compound Name: | 1,3-dimethyl-7-(3-nitrophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 451.28 |
| Molecular Formula: | C16 H11 F6 N5 O4 |
| Smiles: | CN1C2=C(C(N(C)C1=O)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc(c1)[N+]([O-])=O)N2 |
| Stereo: | ACHIRAL |
| logP: | 3.1567 |
| logD: | 2.1943 |
| logSw: | -3.4951 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.844 |
| InChI Key: | XIKBNACNRMHVLD-UHFFFAOYSA-N |