1-(2-methylprop-2-en-1-yl)-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-(2-methylprop-2-en-1-yl)-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
1-(2-methylprop-2-en-1-yl)-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8019-1464 |
| Compound Name: | 1-(2-methylprop-2-en-1-yl)-7-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 448.39 |
| Molecular Formula: | C18 H14 F6 N4 O S |
| Smiles: | CC(=C)CN1C2=C(C(NC1=S)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2 |
| Stereo: | ACHIRAL |
| logP: | 4.3531 |
| logD: | 4.3527 |
| logSw: | -4.2217 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.448 |
| InChI Key: | LIBVJXLBEZKQMB-UHFFFAOYSA-N |