1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SA53-0942 |
| Compound Name: | 1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H25 N7 O2 |
| Smiles: | Cc1cnn(CC(N2CCCN(C(C2)c2nc(C)n[nH]2)C(c2ccccc2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6803 |
| logD: | 0.6796 |
| logSw: | -1.7497 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.949 |
| InChI Key: | WNUUAXFMPXFRHL-SFHVURJKSA-N |