[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](6-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](6-methylpyridin-3-yl)methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](6-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | SA53-0239 |
| Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](6-methylpyridin-3-yl)methanone |
| Molecular Weight: | 390.49 |
| Molecular Formula: | C22 H26 N6 O |
| Smiles: | Cc1ccc(cn1)C(N1CCCN(Cc2ccccc2)C(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.849 |
| logD: | 1.8479 |
| logSw: | -2.095 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.893 |
| InChI Key: | IVWFBQOTEZGFIM-FQEVSTJZSA-N |