7-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
7-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5322 |
| Compound Name: | 7-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C21 H20 N4 O6 S |
| Smiles: | C(CN1C(c2cc3c(cc2NC1=S)OCO3)=O)C(N1CCN(CC1)C(c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1488 |
| logD: | 1.1219 |
| logSw: | -2.4034 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.839 |
| InChI Key: | AOFGGTDOMCWXIY-UHFFFAOYSA-N |