4-{3-acetyl-5-[(1H-benzotriazol-1-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-{3-acetyl-5-[(1H-benzotriazol-1-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2,6-dimethoxyphenyl acetate
4-{3-acetyl-5-[(1H-benzotriazol-1-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | F076-1124 |
| Compound Name: | 4-{3-acetyl-5-[(1H-benzotriazol-1-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 439.43 |
| Molecular Formula: | C21 H21 N5 O6 |
| Smiles: | CC(N1C(c2cc(c(c(c2)OC)OC(C)=O)OC)OC(Cn2c3ccccc3nn2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6691 |
| logD: | 1.6686 |
| logSw: | -2.2594 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.28 |
| InChI Key: | SVBIPKAZARJMQK-NRFANRHFSA-N |