6-{[2-(4-bromophenyl)-2-oxoethyl]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-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-{[2-(4-bromophenyl)-2-oxoethyl]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: | K284-5547 |
| Compound Name: | 6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 635.54 |
| Molecular Formula: | C30 H27 Br N4 O5 S |
| Smiles: | C(CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(c1ccc(cc1)[Br])=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9181 |
| logD: | 4.918 |
| logSw: | -4.7926 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.765 |
| InChI Key: | BJWVSGYAZHQJDS-UHFFFAOYSA-N |