N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y206-8464 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C17 H17 N O3 S |
| Smiles: | C1CCc2c(C1)cc(C(NCc1ccc3c(c1)OCO3)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.6945 |
| logD: | 3.6945 |
| logSw: | -3.8986 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.706 |
| InChI Key: | MITWESUSNKCZNX-UHFFFAOYSA-N |