3-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
3-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | K284-4196 |
| Compound Name: | 3-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C29 H28 N4 O4 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCc2ccccc2C#N)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0045 |
| logD: | 3.0045 |
| logSw: | -3.5564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.38 |
| InChI Key: | BJJXBEDPCMJXJL-UHFFFAOYSA-N |