N-[(4-methoxyphenyl)methyl]-6-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-6-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
N-[(4-methoxyphenyl)methyl]-6-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-5750 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-6-[8-oxo-6-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide |
| Molecular Weight: | 616.74 |
| Molecular Formula: | C33 H36 N4 O6 S |
| Smiles: | COc1ccc(CNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCCc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.071 |
| logD: | 4.071 |
| logSw: | -4.1794 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.193 |
| InChI Key: | BKNHWGGVDQBLIU-UHFFFAOYSA-N |