[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone
Chemical Structure Depiction of
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0929 |
| Compound Name: | [4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C22 H27 N7 O2 |
| Smiles: | CCn1c(C)c(cn1)C(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1565 |
| logD: | 1.1559 |
| logSw: | -2.1221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.624 |
| InChI Key: | SMERDLZMKCTNHR-IBGZPJMESA-N |