1-{2-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{2-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G642-1894 |
| Compound Name: | 1-{2-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C16 H15 N3 O4 S2 |
| Smiles: | CC(N1C(c2cc(C)sc2SC)OC(c2cccc(c2)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.294 |
| logD: | 4.294 |
| logSw: | -4.4873 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.651 |
| InChI Key: | ALWJIDYVLRDJNA-HNNXBMFYSA-N |