N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1528 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C25 H27 N O7 S |
| Smiles: | CCc1ccc2c(c1)C(C=C(C(N(Cc1ccc(c(c1)OC)OC)C1CCS(C1)(=O)=O)=O)O2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.611 |
| logD: | 2.611 |
| logSw: | -3.1648 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.939 |
| InChI Key: | KEBAOSQDBYDXOU-GOSISDBHSA-N |