5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfonamide
5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfonamide
Compound characteristics
| Compound ID: | P025-0054 |
| Compound Name: | 5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfonamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C17 H18 N2 O5 S2 |
| Smiles: | CC(N1CCc2c(C1)cc(s2)S(NCc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1757 |
| logD: | 2.1755 |
| logSw: | -2.943 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.18 |
| InChI Key: | OQCITMLKQFAOQC-UHFFFAOYSA-N |