ethyl 2-({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)hexanoate
Chemical Structure Depiction of
ethyl 2-({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)hexanoate
ethyl 2-({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)hexanoate
Compound characteristics
| Compound ID: | K284-5543 |
| Compound Name: | ethyl 2-({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)hexanoate |
| Molecular Weight: | 580.7 |
| Molecular Formula: | C30 H36 N4 O6 S |
| Smiles: | CCCCC(C(=O)OCC)SC1=Nc2cc3c(cc2C(N1CCC(N1CCN(CC1)c1ccccc1)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2748 |
| logD: | 5.2748 |
| logSw: | -5.1952 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.543 |
| InChI Key: | LUJJSNMLLWSSIE-SANMLTNESA-N |