N-{4-[3-acetyl-5-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{4-[3-acetyl-5-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-methylbenzamide
N-{4-[3-acetyl-5-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | G642-6843 |
| Compound Name: | N-{4-[3-acetyl-5-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl}-3-methylbenzamide |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C22 H18 N4 O5 S |
| Smiles: | CC(N1C(c2ccc(cc2)NC(c2cccc(C)c2)=O)OC(c2ccc([N+]([O-])=O)s2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5156 |
| logD: | 4.5153 |
| logSw: | -4.411 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.094 |
| InChI Key: | RGHJSRKFFKVDTD-JOCHJYFZSA-N |