2-(azepane-1-carbonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
2-(azepane-1-carbonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-1228 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C24 H28 N2 O4 S |
| Smiles: | C1CCCN(CC1)C(c1cc2CC(CCc2s1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1101 |
| logD: | 4.1101 |
| logSw: | -4.1396 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.686 |
| InChI Key: | CTUAHPDPQGKRLZ-QGZVFWFLSA-N |