2-(3-methylphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
2-(3-methylphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SA53-1055 |
| Compound Name: | 2-(3-methylphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 418.5 |
| Molecular Formula: | C23 H26 N6 O2 |
| Smiles: | Cc1cccc(CC(N2CCCN(C(C2)c2nc(C)n[nH]2)C(c2ccncc2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8292 |
| logD: | 1.8262 |
| logSw: | -1.6367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.6 |
| InChI Key: | IOZADSSTSMJULP-FQEVSTJZSA-N |