[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1,3-dimethyl-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1,3-dimethyl-1H-pyrazol-5-yl)methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1,3-dimethyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | SA53-0310 |
| Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1,3-dimethyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C21 H27 N7 O |
| Smiles: | Cc1cc(C(N2CCCN(Cc3ccccc3)C(C2)c2nc(C)n[nH]2)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1619 |
| logD: | 1.1603 |
| logSw: | -2.0236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.271 |
| InChI Key: | SIBZOZYBWGUGCS-IBGZPJMESA-N |