7-{6-[4-(4-acetylphenyl)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-(4-acetylphenyl)piperazin-1-yl]-6-oxohexyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-{6-[4-(4-acetylphenyl)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: | K284-5208 |
| Compound Name: | 7-{6-[4-(4-acetylphenyl)piperazin-1-yl]-6-oxohexyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C27 H30 N4 O5 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(CCCCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2559 |
| logD: | 3.234 |
| logSw: | -3.4551 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.891 |
| InChI Key: | MKNYRGSVIUOHOI-UHFFFAOYSA-N |