6-{[(2-fluorophenyl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-{[(2-fluorophenyl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-{[(2-fluorophenyl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-5550 |
| Compound Name: | 6-{[(2-fluorophenyl)methyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C29 H27 F N4 O4 S |
| Smiles: | C(CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1ccccc1F)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8457 |
| logD: | 4.8456 |
| logSw: | -4.7815 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.518 |
| InChI Key: | HQETUUKXBLRXHJ-UHFFFAOYSA-N |