4-{[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
4-{[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-7233 |
| Compound Name: | 4-{[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C29 H27 F N4 O4 S |
| Smiles: | C1CC(CNC(c2ccc(CN3C(=Nc4ccccc4C3=O)SCC(Nc3ccc(cc3)F)=O)cc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2421 |
| logD: | 3.2421 |
| logSw: | -3.8412 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.988 |
| InChI Key: | MYTJQICEADWKJW-HSZRJFAPSA-N |