6-cyclopentyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-cyclopentyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-cyclopentyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8017-0093 |
| Compound Name: | 6-cyclopentyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 396.43 |
| Molecular Formula: | C18 H19 F3 N4 O S |
| Smiles: | C1CCC(C1)N1CC2=C(NC1)N(C(NC2=O)=S)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.1355 |
| logD: | 2.9317 |
| logSw: | -3.4042 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.228 |
| InChI Key: | PVUJWPRGUDGOFT-UHFFFAOYSA-N |