1-benzyl-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-benzyl-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-benzyl-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0062 |
| Compound Name: | 1-benzyl-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 484.42 |
| Molecular Formula: | C21 H14 F6 N4 O S |
| Smiles: | C(c1ccccc1)N1C2=C(C(NC1=S)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2 |
| Stereo: | ACHIRAL |
| logP: | 4.8646 |
| logD: | 4.8644 |
| logSw: | -4.7944 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.177 |
| InChI Key: | WDAAMUDSVRRMNI-UHFFFAOYSA-N |