1-benzyl-6-hydroxy-4-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-1,4-diazepan-2-one
Chemical Structure Depiction of
1-benzyl-6-hydroxy-4-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-1,4-diazepan-2-one
1-benzyl-6-hydroxy-4-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-1,4-diazepan-2-one
Compound characteristics
Compound ID: | SA85-1271 |
Compound Name: | 1-benzyl-6-hydroxy-4-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-1,4-diazepan-2-one |
Molecular Weight: | 448.52 |
Molecular Formula: | C25 H28 N4 O4 |
Smiles: | Cc1ccc(cc1)c1nc(CCCC(N2CC(CN(Cc3ccccc3)C(C2)=O)O)=O)on1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.752 |
logD: | 2.752 |
logSw: | -2.8867 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.26 |
InChI Key: | CDSCULAIWCEKQX-OAQYLSRUSA-N |