2-{4-acetyl-5-[2-(1H-benzotriazol-1-yl)ethyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chlorophenyl acetate
Chemical Structure Depiction of
2-{4-acetyl-5-[2-(1H-benzotriazol-1-yl)ethyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chlorophenyl acetate
2-{4-acetyl-5-[2-(1H-benzotriazol-1-yl)ethyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chlorophenyl acetate
Compound characteristics
| Compound ID: | G642-6329 |
| Compound Name: | 2-{4-acetyl-5-[2-(1H-benzotriazol-1-yl)ethyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chlorophenyl acetate |
| Molecular Weight: | 427.85 |
| Molecular Formula: | C20 H18 Cl N5 O4 |
| Smiles: | CC(N1C(CCn2c3ccccc3nn2)OC(c2cc(ccc2OC(C)=O)[Cl])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9057 |
| logD: | 2.9057 |
| logSw: | -3.5109 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.96 |
| InChI Key: | GKVGVCLEVTXQME-IBGZPJMESA-N |