4-{6-[(cyanomethyl)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-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]butanamide
4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-5590 |
| Compound Name: | 4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(4-methoxyphenyl)methyl]butanamide |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C23 H22 N4 O5 S |
| Smiles: | COc1ccc(CNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC#N)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1934 |
| logD: | 2.1934 |
| logSw: | -2.9866 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.644 |
| InChI Key: | PMCAXROZXAYLHB-UHFFFAOYSA-N |