7-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
7-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5280 |
| Compound Name: | 7-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 486.98 |
| Molecular Formula: | C23 H23 Cl N4 O4 S |
| Smiles: | C(CC(N1CCN(CC1)c1cccc(c1)[Cl])=O)CN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1657 |
| logD: | 3.1439 |
| logSw: | -3.7681 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.065 |
| InChI Key: | ZBHVRMUWVDJPKE-UHFFFAOYSA-N |