1-benzyl-7-(3-chlorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-benzyl-7-(3-chlorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1-benzyl-7-(3-chlorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 6259-7169 |
| Compound Name: | 1-benzyl-7-(3-chlorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 502.8 |
| Molecular Formula: | C21 H13 Cl F6 N4 O2 |
| Smiles: | C(c1ccccc1)N1C2=C(C(NC1=O)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc(c1)[Cl])N2 |
| Stereo: | ACHIRAL |
| logP: | 5.1987 |
| logD: | 4.9598 |
| logSw: | -5.7598 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.339 |
| InChI Key: | QCJWQQIFVXANIG-UHFFFAOYSA-N |