N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y041-6783 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | COc1ccccc1N1C=C(C(NC2CCS(C2)(=O)=O)=O)c2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9872 |
| logD: | 0.9872 |
| logSw: | -2.2469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.66 |
| InChI Key: | XFAWMEZNHCGAJB-CQSZACIVSA-N |