2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K284-0698 |
| Compound Name: | 2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 543.56 |
| Molecular Formula: | C27 H24 F3 N3 O4 S |
| Smiles: | COc1ccc(CCN2C(=Nc3ccccc3C2=O)SCC(Nc2cccc(c2)C(F)(F)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.8249 |
| logD: | 4.8247 |
| logSw: | -4.4901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.16 |
| InChI Key: | DJZJUNYHRIBXKS-UHFFFAOYSA-N |