1-[4-benzoyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[4-benzoyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
1-[4-benzoyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SA52-0912 |
| Compound Name: | 1-[4-benzoyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | Cc1cc(C)n(CC(N2CCCN(C(C2)c2nc(C)no2)C(c2ccccc2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9226 |
| logD: | 0.9226 |
| logSw: | -1.6742 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.071 |
| InChI Key: | CEGVRGKASIITNB-IBGZPJMESA-N |