2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(pyrrolidin-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-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D353-0708 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 333.36 |
| Molecular Formula: | C15 H15 N3 O4 S |
| Smiles: | C1CCN(C1)C(CSc1nnc(c2ccc3c(c2)OCO3)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.966 |
| logD: | 1.966 |
| logSw: | -2.5101 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.938 |
| InChI Key: | QIXKYOJLCJTKLD-UHFFFAOYSA-N |