4-[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
Chemical Structure Depiction of
4-[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
4-[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-5606 |
| Compound Name: | 4-[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C29 H34 N4 O6 S |
| Smiles: | COc1ccc(CNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NC2CCCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5008 |
| logD: | 3.5008 |
| logSw: | -3.8855 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.077 |
| InChI Key: | QIRINVCDELHIFE-UHFFFAOYSA-N |