ethyl [(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetate
ethyl [(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | K284-5923 |
| Compound Name: | ethyl [(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetate |
| Molecular Weight: | 586.67 |
| Molecular Formula: | C31 H30 N4 O6 S |
| Smiles: | CCOC(CSC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4915 |
| logD: | 4.4915 |
| logSw: | -4.2333 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.225 |
| InChI Key: | KZWSRNZTLUFPBP-UHFFFAOYSA-N |