7-benzyl-1-(4-chlorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-benzyl-1-(4-chlorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-benzyl-1-(4-chlorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8013-2585 |
| Compound Name: | 7-benzyl-1-(4-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(C1NC2=C(C(NC(N2c2ccc(cc2)[Cl])=O)=O)C(C(F)(F)F)(C(F)(F)F)N=1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7736 |
| logD: | 4.7732 |
| logSw: | -5.082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.737 |
| InChI Key: | PGCNDXDRUMHHEQ-UHFFFAOYSA-N |