N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(4-methoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(4-methoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(4-methoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y070-3910 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(4-methoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C22 H26 N2 O5 S2 |
| Smiles: | CC1CCc2c(C(NC3CCS(C3)(=O)=O)=O)c(NC(c3ccc(cc3)OC)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6296 |
| logD: | 0.8247 |
| logSw: | -3.1788 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.164 |
| InChI Key: | OZBIGDJKNBHLCF-UHFFFAOYSA-N |