2-(3,5-dimethyl-1,2-oxazol-4-yl)-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-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-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: | SA53-1046 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-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: | 423.47 |
| Molecular Formula: | C21 H25 N7 O3 |
| Smiles: | Cc1c(CC(N2CCCN(C(C2)c2nc(C)n[nH]2)C(c2ccncc2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.246 |
| logD: | 0.243 |
| logSw: | -0.8786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.638 |
| InChI Key: | UOCOXAGLKJQASH-SFHVURJKSA-N |