N-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1637 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C23 H22 Cl N O5 S |
| Smiles: | Cc1cc(C)c2C(C=C(C(N(Cc3cccc(c3)[Cl])C3CCS(C3)(=O)=O)=O)Oc2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9292 |
| logD: | 3.9292 |
| logSw: | -4.5142 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | XKRBLJNMMXIZRB-SFHVURJKSA-N |