N-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1072 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C22 H20 Cl N O5 S |
| Smiles: | Cc1ccc2c(c1)C(C=C(C(N(Cc1cccc(c1)[Cl])C1CCS(C1)(=O)=O)=O)O2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1513 |
| logD: | 3.1513 |
| logSw: | -3.635 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | WDOCCDXXUSBRIY-KRWDZBQOSA-N |