2-({3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-({3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K284-2166 |
| Compound Name: | 2-({3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 527.52 |
| Molecular Formula: | C26 H20 F3 N3 O4 S |
| Smiles: | C(C1COc2ccccc2O1)N1C(=Nc2ccccc2C1=O)SCC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.866 |
| logD: | 4.8657 |
| logSw: | -4.7427 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.6 |
| InChI Key: | PQWMQGBPUFUVDE-SFHVURJKSA-N |