7-{4-[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-{4-[4-(5-chloro-2-methylphenyl)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: | K284-5278 |
| Compound Name: | 7-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 501 |
| Molecular Formula: | C24 H25 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8647 |
| logD: | 3.8429 |
| logSw: | -4.326 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.764 |
| InChI Key: | JPNACMFJMFLQIC-UHFFFAOYSA-N |