N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-1-benzopyran-3-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D111-0100 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C24 H25 N O8 S |
| Smiles: | COc1cc(CN(C2CCS(C2)(=O)=O)C(C2=Cc3ccccc3OC2=O)=O)cc(c1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3889 |
| logD: | 1.3889 |
| logSw: | -2.3848 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.759 |
| InChI Key: | KOOWGVZPZOXSSM-QGZVFWFLSA-N |