7-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
7-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5201 |
| Compound Name: | 7-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 548.58 |
| Molecular Formula: | C26 H27 F3 N4 O4 S |
| Smiles: | C(CCC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)CCN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3929 |
| logD: | 4.3711 |
| logSw: | -4.1235 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.065 |
| InChI Key: | VCWKHESDBYBYAE-UHFFFAOYSA-N |