6-[(pyridin-2-yl)methyl]-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-[(pyridin-2-yl)methyl]-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
6-[(pyridin-2-yl)methyl]-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8019-0872 |
| Compound Name: | 6-[(pyridin-2-yl)methyl]-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 419.43 |
| Molecular Formula: | C19 H16 F3 N5 O S |
| Smiles: | C1C2=C(NCN1Cc1ccccn1)N(C(NC2=O)=S)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.2247 |
| logD: | 2.2225 |
| logSw: | -2.9559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.852 |
| InChI Key: | SDEMQFRFQKNZAD-UHFFFAOYSA-N |