3-(6-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-oxohexyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(6-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-oxohexyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-(6-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-oxohexyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-1139 |
| Compound Name: | 3-(6-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-oxohexyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 519.59 |
| Molecular Formula: | C26 H28 F3 N3 O3 S |
| Smiles: | C(CCC(N1CCC(CC1)(c1cccc(c1)C(F)(F)F)O)=O)CCN1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0666 |
| logD: | 4.0655 |
| logSw: | -4.1061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.523 |
| InChI Key: | UEVNNUVGFDCTJJ-UHFFFAOYSA-N |