N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-0660 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | C1CCN(C1)C(c1cc2CC(CCc2s1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3269 |
| logD: | 3.3269 |
| logSw: | -3.357 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.721 |
| InChI Key: | NIJROZXTSIFRKA-OAHLLOKOSA-N |