2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-[1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-[1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide
2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-[1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide
Compound characteristics
| Compound ID: | IB03-9689 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-[1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide |
| Molecular Weight: | 461.96 |
| Molecular Formula: | C23 H24 Cl N O5 S |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(NC(CCSC)CO)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.55 |
| logD: | 3.55 |
| logSw: | -4.22 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 178.75 |
| InChI Key: | RJPWNHIMVUMACW-KRWDZBQOSA-N |