2-{4-acetyl-5-[(1H-benzotriazol-1-yl)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-6-ethoxyphenyl acetate
Chemical Structure Depiction of
2-{4-acetyl-5-[(1H-benzotriazol-1-yl)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-6-ethoxyphenyl acetate
2-{4-acetyl-5-[(1H-benzotriazol-1-yl)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-6-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | G642-7372 |
| Compound Name: | 2-{4-acetyl-5-[(1H-benzotriazol-1-yl)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-6-ethoxyphenyl acetate |
| Molecular Weight: | 423.43 |
| Molecular Formula: | C21 H21 N5 O5 |
| Smiles: | CCOc1cccc(C2=NN(C(Cn3c4ccccc4nn3)O2)C(C)=O)c1OC(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2626 |
| logD: | 2.2626 |
| logSw: | -2.8305 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.278 |
| InChI Key: | ZKPAOACHBJAYAT-LJQANCHMSA-N |