N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-4387 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)quinazolin-3(4H)-yl]propanamide |
| Molecular Weight: | 614.64 |
| Molecular Formula: | C30 H29 F3 N4 O5 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCC(Nc2cccc(c2)C(F)(F)F)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6432 |
| logD: | 3.6429 |
| logSw: | -4.0157 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.473 |
| InChI Key: | HZFMLHYOOBTPJB-UHFFFAOYSA-N |