{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(1-ethyl-1H-pyrazol-3-yl)methanone
Chemical Structure Depiction of
{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(1-ethyl-1H-pyrazol-3-yl)methanone
{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(1-ethyl-1H-pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | P803-1519 |
| Compound Name: | {4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(1-ethyl-1H-pyrazol-3-yl)methanone |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C22 H28 N6 O |
| Smiles: | CCn1ccc(C(N2CCCN(CC2)c2cc(c3ccc(C)c(C)c3)n[nH]2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4404 |
| logD: | 3.4404 |
| logSw: | -3.4933 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.816 |
| InChI Key: | YUNINKYDMNCAJO-UHFFFAOYSA-N |