7-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-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-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5168 |
| Compound Name: | 7-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 538.62 |
| Molecular Formula: | C27 H30 N4 O6 S |
| Smiles: | C(CCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)CCN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1444 |
| logD: | 2.8002 |
| logSw: | -3.4069 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.46 |
| InChI Key: | UJMYMSXHRUKLFF-UHFFFAOYSA-N |