7-phenyl-1-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
7-phenyl-1-(prop-2-en-1-yl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 7834-0115 |
| Compound Name: | 7-phenyl-1-(prop-2-en-1-yl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 434.36 |
| Molecular Formula: | C17 H12 F6 N4 O S |
| Smiles: | C=CCN1C2=C(C(NC1=S)=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2 |
| Stereo: | ACHIRAL |
| logP: | 3.7484 |
| logD: | 3.7481 |
| logSw: | -4.1305 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.427 |
| InChI Key: | XVVCDOWVVNTIAF-UHFFFAOYSA-N |