N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D076-0093 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Smiles: | COc1cccc(CN(C2CCS(C2)(=O)=O)C(C2=Cc3ccccc3OC2=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.783 |
| logD: | 1.783 |
| logSw: | -2.5995 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.325 |
| InChI Key: | PZWLHOJVJVWZBZ-QGZVFWFLSA-N |