2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-propylacetamide
Chemical Structure Depiction of
2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-propylacetamide
2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-propylacetamide
Compound characteristics
| Compound ID: | G856-2158 |
| Compound Name: | 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-propylacetamide |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | [H]N(CCC)C(CSc1nccn1Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9958 |
| logD: | 1.9821 |
| logSw: | -2.8081 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.758 |
| InChI Key: | SIHOCXLYCFNYIY-UHFFFAOYSA-N |