2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetamide
2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K284-5939 |
| Compound Name: | 2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 557.63 |
| Molecular Formula: | C29 H27 N5 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(N)=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1193 |
| logD: | 3.1193 |
| logSw: | -3.5825 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.454 |
| InChI Key: | QNIBUIVQKDLKNG-UHFFFAOYSA-N |