ethyl {[7-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-oxohexyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[7-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-oxohexyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate
ethyl {[7-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-oxohexyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K284-5761 |
| Compound Name: | ethyl {[7-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-oxohexyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate |
| Molecular Weight: | 555.61 |
| Molecular Formula: | C27 H29 N3 O8 S |
| Smiles: | CCOC(CSC1=Nc2cc3c(cc2C(N1CCCCCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7568 |
| logD: | 3.7568 |
| logSw: | -3.8351 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.882 |
| InChI Key: | XLWMGOWTLNETOP-UHFFFAOYSA-N |