4-{6-[(2-{[(furan-2-yl)methyl]amino}-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-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]butanamide
4-{6-[(2-{[(furan-2-yl)methyl]amino}-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: | K284-5613 |
| Compound Name: | 4-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]butanamide |
| Molecular Weight: | 564.62 |
| Molecular Formula: | C28 H28 N4 O7 S |
| Smiles: | COc1ccc(CNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCc2ccco2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0368 |
| logD: | 3.0368 |
| logSw: | -3.545 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.1 |
| InChI Key: | CRMRCSVQYYKBMC-UHFFFAOYSA-N |