2-{[3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)acetamide
2-{[3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)acetamide
Compound characteristics
| Compound ID: | Y040-3490 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)acetamide |
| Molecular Weight: | 447.89 |
| Molecular Formula: | C21 H18 Cl N O6 S |
| Smiles: | C1CS(CC1NC(COc1ccc2C=C(C(=O)Oc2c1)c1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1007 |
| logD: | 2.1007 |
| logSw: | -3.1847 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.75 |
| InChI Key: | XQITWKQJINHQGJ-INIZCTEOSA-N |