6-[(2-oxo-2-phenylethyl)sulfanyl]-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-[(2-oxo-2-phenylethyl)sulfanyl]-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-[(2-oxo-2-phenylethyl)sulfanyl]-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-5924 |
| Compound Name: | 6-[(2-oxo-2-phenylethyl)sulfanyl]-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 618.71 |
| Molecular Formula: | C35 H30 N4 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(c2ccccc2)=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3026 |
| logD: | 5.3025 |
| logSw: | -5.6722 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.042 |
| InChI Key: | IRRRVRVJYCHMFO-UHFFFAOYSA-N |