N-(2H-1,3-benzodioxol-5-yl)-8-ethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-b]azepine-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-8-ethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-b]azepine-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-8-ethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-b]azepine-2-carboxamide
Compound characteristics
| Compound ID: | CM4435-3598 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-8-ethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-b]azepine-2-carboxamide |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Smiles: | CCN1CCCCc2cc(C(Nc3ccc4c(c3)OCO4)=O)sc12 |
| Stereo: | ACHIRAL |
| logP: | 4.1081 |
| logD: | 4.1081 |
| logSw: | -4.0597 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.787 |
| InChI Key: | SOOQUJQCEFLMHG-UHFFFAOYSA-N |