7-{3-[4-(4-chlorophenyl)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-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-{3-[4-(4-chlorophenyl)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: | K284-5360 |
| Compound Name: | 7-{3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 472.95 |
| Molecular Formula: | C22 H21 Cl N4 O4 S |
| Smiles: | C(CN1C(c2cc3c(cc2NC1=S)OCO3)=O)C(N1CCN(CC1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2922 |
| logD: | 3.2653 |
| logSw: | -3.882 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.065 |
| InChI Key: | KCIXYBDBEIBRFD-UHFFFAOYSA-N |