N-[(3-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-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[(3-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: | D103-1973 |
Compound Name: | N-[(3-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(Cc3cccc(c3)[Cl])C3CCS(C3)(=O)=O)=O)Oc2cc1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8667 |
logD: | 3.8667 |
logSw: | -4.3518 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 65.678 |
InChI Key: | CGFDJLNPESIXNE-SFHVURJKSA-N |