N-(2,5-dimethylphenyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-(2,5-dimethylphenyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-3389 |
| Compound Name: | N-(2,5-dimethylphenyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 369.55 |
| Molecular Formula: | C21 H23 N O S2 |
| Smiles: | CC1CCc2c3CSC(=Cc3sc2C1)C(Nc1cc(C)ccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7711 |
| logD: | 5.7711 |
| logSw: | -5.3433 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.4914 |
| InChI Key: | BRQMRNOWWPHONN-CYBMUJFWSA-N |