7-phenyl-1-(2-phenylethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-phenyl-1-(2-phenylethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
7-phenyl-1-(2-phenylethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0064 |
| Compound Name: | 7-phenyl-1-(2-phenylethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 498.45 |
| Molecular Formula: | C22 H16 F6 N4 O S |
| Smiles: | C(CN1C2=C(C(NC1=S)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9636 |
| logD: | 4.9629 |
| logSw: | -4.8515 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.155 |
| InChI Key: | HAXPFOQGWJLGBU-UHFFFAOYSA-N |