ethyl ({8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetate
ethyl ({8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K284-5542 |
| Compound Name: | ethyl ({8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetate |
| Molecular Weight: | 524.6 |
| Molecular Formula: | C26 H28 N4 O6 S |
| Smiles: | CCOC(CSC1=Nc2cc3c(cc2C(N1CCC(N1CCN(CC1)c1ccccc1)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1681 |
| logD: | 3.1681 |
| logSw: | -3.5467 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.948 |
| InChI Key: | RQRRNVHEZINSSD-UHFFFAOYSA-N |