1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxypropan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxypropan-1-one
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxypropan-1-one
Compound characteristics
Compound ID: | P803-1573 |
Compound Name: | 1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxypropan-1-one |
Molecular Weight: | 418.54 |
Molecular Formula: | C25 H30 N4 O2 |
Smiles: | CC(C(N1CCCN(CC1)c1cc(c2ccc(C)c(C)c2)n[nH]1)=O)Oc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9038 |
logD: | 4.9038 |
logSw: | -4.5855 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.22 |
InChI Key: | QCRYNTVDNSKZJE-FQEVSTJZSA-N |