7-{[4-(4-benzylpiperazine-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-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5404 |
| Compound Name: | 7-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C28 H26 N4 O4 S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5804 |
| logD: | 3.5579 |
| logSw: | -3.8378 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.622 |
| InChI Key: | WBSICYNPHHQJTE-UHFFFAOYSA-N |