N-[(2-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[(2-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1974 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C23 H22 Cl N O5 S |
| Smiles: | Cc1cc2C(C=C(C(N(Cc3ccccc3[Cl])C3CCS(C3)(=O)=O)=O)Oc2cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0297 |
| logD: | 4.0297 |
| logSw: | -4.4321 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | MSDRUGHLULYHLO-KRWDZBQOSA-N |