7-(6-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-oxohexyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
7-(6-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-oxohexyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-(6-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-oxohexyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5163 |
| Compound Name: | 7-(6-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-oxohexyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 563.6 |
| Molecular Formula: | C27 H28 F3 N3 O5 S |
| Smiles: | C(CCC(N1CCC(CC1)(c1cccc(c1)C(F)(F)F)O)=O)CCN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9593 |
| logD: | 3.9375 |
| logSw: | -4.0251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.638 |
| InChI Key: | JWBPHIVMDWPDGG-UHFFFAOYSA-N |