N-(2H-1,3-benzodioxol-5-yl)-5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 8016-0351 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carboxamide |
| Molecular Weight: | 329.37 |
| Molecular Formula: | C17 H15 N O4 S |
| Smiles: | CC(C)(C#Cc1ccc(C(Nc2ccc3c(c2)OCO3)=O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 4.035 |
| logD: | 4.0325 |
| logSw: | -4.02 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.651 |
| InChI Key: | JJHBNQOMNXNAKC-UHFFFAOYSA-N |