4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-(2-phenylethyl)butanamide
4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | K284-3498 |
| Compound Name: | 4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | C(CC(NCCc1ccccc1)=O)CN1C(=Nc2ccccc2C1=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 1.4182 |
| logD: | 1.4182 |
| logSw: | -2.3217 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.826 |
| InChI Key: | SLVXSZMFMRCFLM-UHFFFAOYSA-N |