7-benzyl-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-benzyl-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-benzyl-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 7591-0462 |
| Compound Name: | 7-benzyl-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 468.36 |
| Molecular Formula: | C21 H14 F6 N4 O2 |
| Smiles: | C(C1NC2=C(C(NC(N2c2ccccc2)=O)=O)C(C(F)(F)F)(C(F)(F)F)N=1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0573 |
| logD: | 4.0569 |
| logSw: | -4.3401 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.737 |
| InChI Key: | XEMRVFGXERVLIP-UHFFFAOYSA-N |