4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K284-3266 |
| Compound Name: | 4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCC#N)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.9353 |
| logD: | 0.9353 |
| logSw: | -2.4253 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.087 |
| InChI Key: | UMURVRSKWBHUHO-UHFFFAOYSA-N |