1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-3-(3-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-3-(3-methoxyphenyl)propan-1-one
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-3-(3-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | P803-1549 |
| Compound Name: | 1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-3-(3-methoxyphenyl)propan-1-one |
| Molecular Weight: | 432.57 |
| Molecular Formula: | C26 H32 N4 O2 |
| Smiles: | Cc1ccc(cc1C)c1cc([nH]n1)N1CCCN(CC1)C(CCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0932 |
| logD: | 5.0932 |
| logSw: | -4.8749 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.448 |
| InChI Key: | VRNNYTHEFHHXPE-UHFFFAOYSA-N |