4-{4-acetyl-5-[(4-methyl-2-nitrophenoxy)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{4-acetyl-5-[(4-methyl-2-nitrophenoxy)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl acetate
4-{4-acetyl-5-[(4-methyl-2-nitrophenoxy)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | G642-6645 |
| Compound Name: | 4-{4-acetyl-5-[(4-methyl-2-nitrophenoxy)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl acetate |
| Molecular Weight: | 443.41 |
| Molecular Formula: | C21 H21 N3 O8 |
| Smiles: | CC(N1C(COc2ccc(C)cc2[N+]([O-])=O)OC(c2ccc(c(c2)OC)OC(C)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1084 |
| logD: | 3.1084 |
| logSw: | -3.451 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.58 |
| InChI Key: | SLCZVDAPPLIXLB-FQEVSTJZSA-N |