N~5~-(2H-1,3-benzodioxol-5-yl)-N~2~,N~2~-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
Chemical Structure Depiction of
N~5~-(2H-1,3-benzodioxol-5-yl)-N~2~,N~2~-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
N~5~-(2H-1,3-benzodioxol-5-yl)-N~2~,N~2~-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
Compound characteristics
| Compound ID: | T408-0170 |
| Compound Name: | N~5~-(2H-1,3-benzodioxol-5-yl)-N~2~,N~2~-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | CCN(CC)C(c1cc2CC(CCc2s1)C(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.496 |
| logD: | 3.495 |
| logSw: | -3.635 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.316 |
| InChI Key: | SMKDQDIWHPEMPL-CYBMUJFWSA-N |