7-{6-oxo-6-[4-(pyrimidin-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-(pyrimidin-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-(pyrimidin-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: | K284-5210 |
| Compound Name: | 7-{6-oxo-6-[4-(pyrimidin-2-yl)piperazin-1-yl]hexyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C23 H26 N6 O4 S |
| Smiles: | C(CCC(N1CCN(CC1)c1ncccn1)=O)CCN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7569 |
| logD: | 2.735 |
| logSw: | -3.3143 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.427 |
| InChI Key: | QBNKKAKTQQABNV-UHFFFAOYSA-N |