2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D344-9185 |
| Compound Name: | 2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C14 H14 N4 O4 S |
| Smiles: | C1CCN(C1)C(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0495 |
| logD: | 2.0495 |
| logSw: | -2.4193 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.204 |
| InChI Key: | PYDMJDUZXOEXPJ-UHFFFAOYSA-N |