6-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]hexanamide
Chemical Structure Depiction of
6-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]hexanamide
6-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | K284-5724 |
| Compound Name: | 6-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]hexanamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | COc1ccc(CNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC#N)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2034 |
| logD: | 3.2034 |
| logSw: | -3.5777 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.644 |
| InChI Key: | HYJKSGULZFCMDG-UHFFFAOYSA-N |