7-[(furan-2-yl)methyl]-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
7-[(furan-2-yl)methyl]-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
7-[(furan-2-yl)methyl]-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-5002 |
| Compound Name: | 7-[(furan-2-yl)methyl]-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C26 H24 N4 O5 S |
| Smiles: | C1CN(CCN1C(CSC1=Nc2cc3c(cc2C(N1Cc1ccco1)=O)OCO3)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8846 |
| logD: | 3.8846 |
| logSw: | -4.006 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.288 |
| InChI Key: | BQXSSDQCOYRASS-UHFFFAOYSA-N |