2-(3-methylphenoxy)-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-methylphenoxy)-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-methylphenoxy)-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: | SA53-1031 |
| Compound Name: | 2-(3-methylphenoxy)-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: | 434.5 |
| Molecular Formula: | C23 H26 N6 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1303 |
| logD: | 1.1272 |
| logSw: | -1.4493 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.099 |
| InChI Key: | WBWLWPFBAOOOOH-FQEVSTJZSA-N |