3-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
3-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | K284-3928 |
| Compound Name: | 3-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCC#N)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.1885 |
| logD: | 1.1885 |
| logSw: | -2.4036 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.087 |
| InChI Key: | IEJZUTDMAKBNGM-UHFFFAOYSA-N |