2-{[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-6-(3,4-dimethylphenyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-{[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-6-(3,4-dimethylphenyl)pyridazin-3(2H)-one
2-{[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-6-(3,4-dimethylphenyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | L960-1651 |
| Compound Name: | 2-{[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-6-(3,4-dimethylphenyl)pyridazin-3(2H)-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | Cc1ccc(cc1C)C1C=CC(N(Cc2nc(C(N3CCCCCC3)=O)on2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5446 |
| logD: | 3.5446 |
| logSw: | -3.596 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.466 |
| InChI Key: | VTHBKZJJCYRLMA-UHFFFAOYSA-N |