N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2523 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 385.5 |
| Molecular Formula: | C20 H19 N O3 S2 |
| Smiles: | C1CCc2c(C1)c1CSC(=Cc1s2)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6836 |
| logD: | 4.6836 |
| logSw: | -4.7337 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.627 |
| InChI Key: | DYPUQGHASRUSBR-UHFFFAOYSA-N |