4-{[2-{[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[2-{[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(furan-2-yl)methyl]benzamide
4-{[2-{[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-7199 |
| Compound Name: | 4-{[2-{[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 587.1 |
| Molecular Formula: | C31 H27 Cl N4 O4 S |
| Smiles: | CCC(C(Nc1ccc(cc1)[Cl])=O)SC1=Nc2ccccc2C(N1Cc1ccc(cc1)C(NCc1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0187 |
| logD: | 6.0185 |
| logSw: | -5.9951 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.296 |
| InChI Key: | MCEUGTKKGPOCRJ-MHZLTWQESA-N |