2-methyl-1-[4-(3-methylpyridine-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[4-(3-methylpyridine-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
2-methyl-1-[4-(3-methylpyridine-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SA53-0585 |
| Compound Name: | 2-methyl-1-[4-(3-methylpyridine-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C19 H26 N6 O2 |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(c1c(C)cccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1247 |
| logD: | 1.1241 |
| logSw: | -1.8028 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.789 |
| InChI Key: | VBRFNUUUMYPMCZ-HNNXBMFYSA-N |