7-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-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)piperazine-1-carbonyl]phenyl}methyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
Compound ID: | K284-5439 |
Compound Name: | 7-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
Molecular Weight: | 535.02 |
Molecular Formula: | C27 H23 Cl N4 O4 S |
Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O)c1cccc(c1)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.483 |
logD: | 4.4759 |
logSw: | -4.5863 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.342 |
InChI Key: | RZRNIOVDOVBIQE-UHFFFAOYSA-N |