2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D353-0724 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C17 H19 N3 O4 S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccc3c(c2)OCO3)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5153 |
| logD: | 2.5153 |
| logSw: | -2.8555 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.572 |
| InChI Key: | MSHYSGNBOJSFJU-UHFFFAOYSA-N |