1,7-diphenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1,7-diphenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1,7-diphenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0058 |
| Compound Name: | 1,7-diphenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 470.39 |
| Molecular Formula: | C20 H12 F6 N4 O S |
| Smiles: | c1ccc(cc1)C1NC2=C(C(NC(N2c2ccccc2)=S)=O)C(C(F)(F)F)(C(F)(F)F)N=1 |
| Stereo: | ACHIRAL |
| logP: | 4.2673 |
| logD: | 4.2669 |
| logSw: | -4.3644 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.565 |
| InChI Key: | KZZPMJCLRGTFGA-UHFFFAOYSA-N |