2-{4-acetyl-5-[3-(2-methylbenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chloro-6-nitrophenyl acetate
Chemical Structure Depiction of
2-{4-acetyl-5-[3-(2-methylbenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chloro-6-nitrophenyl acetate
2-{4-acetyl-5-[3-(2-methylbenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chloro-6-nitrophenyl acetate
Compound characteristics
| Compound ID: | G642-6974 |
| Compound Name: | 2-{4-acetyl-5-[3-(2-methylbenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chloro-6-nitrophenyl acetate |
| Molecular Weight: | 536.93 |
| Molecular Formula: | C26 H21 Cl N4 O7 |
| Smiles: | CC(N1C(c2cccc(c2)NC(c2ccccc2C)=O)OC(c2cc(cc(c2OC(C)=O)[N+]([O-])=O)[Cl])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3269 |
| logD: | 4.3264 |
| logSw: | -4.6713 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.347 |
| InChI Key: | XKACVFPDCWWTAJ-AREMUKBSSA-N |