N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-propanoyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-propanoyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-propanoyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfonamide
Compound characteristics
| Compound ID: | P025-0274 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-propanoyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfonamide |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C18 H20 N2 O5 S2 |
| Smiles: | CCC(N1CCc2c(C1)cc(s2)S(NCc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7316 |
| logD: | 2.7313 |
| logSw: | -3.2955 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.185 |
| InChI Key: | IYHALSFBBFCZGK-UHFFFAOYSA-N |