7-[4-(4-benzylpiperazin-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-benzylpiperazin-1-yl)-4-oxobutyl]-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
Compound ID: | K284-5245 |
Compound Name: | 7-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
Molecular Weight: | 466.56 |
Molecular Formula: | C24 H26 N4 O4 S |
Smiles: | C(CC(N1CCN(CC1)Cc1ccccc1)=O)CN1C(c2cc3c(cc2NC1=S)OCO3)=O |
Stereo: | ACHIRAL |
logP: | 2.2632 |
logD: | 2.2084 |
logSw: | -3.2401 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.345 |
InChI Key: | KCEKNRBBVSCHRC-UHFFFAOYSA-N |