7-{6-oxo-6-[4-(pyridin-2-yl)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-(pyridin-2-yl)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-(pyridin-2-yl)piperazin-1-yl]hexyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5209 |
| Compound Name: | 7-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C24 H27 N5 O4 S |
| Smiles: | C(CCC(N1CCN(CC1)c1ccccn1)=O)CCN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2598 |
| logD: | 3.2291 |
| logSw: | -3.5145 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.576 |
| InChI Key: | JMOGWLZSYYMNFF-UHFFFAOYSA-N |