1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-methylphenyl)ethan-1-one
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | P803-1532 |
| Compound Name: | 1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 402.54 |
| Molecular Formula: | C25 H30 N4 O |
| Smiles: | Cc1ccc(CC(N2CCCN(CC2)c2cc(c3ccc(C)c(C)c3)n[nH]2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2084 |
| logD: | 5.2084 |
| logSw: | -4.9531 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.904 |
| InChI Key: | WNBOXPWAHAIGET-UHFFFAOYSA-N |