3-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-(2-phenylethyl)propanamide
Chemical Structure Depiction of
3-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-(2-phenylethyl)propanamide
3-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-(2-phenylethyl)propanamide
Compound characteristics
| Compound ID: | K284-3721 |
| Compound Name: | 3-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-(2-phenylethyl)propanamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCC#N)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6714 |
| logD: | 1.6714 |
| logSw: | -2.614 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.826 |
| InChI Key: | GXOMXSLTUUPANG-UHFFFAOYSA-N |