2-(3-chlorophenoxy)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}propan-1-one
Chemical Structure Depiction of
2-(3-chlorophenoxy)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}propan-1-one
2-(3-chlorophenoxy)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | P803-1605 |
| Compound Name: | 2-(3-chlorophenoxy)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C25 H29 Cl N4 O2 |
| Smiles: | CC(C(N1CCCN(CC1)c1cc(c2ccc(C)c(C)c2)n[nH]1)=O)Oc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6761 |
| logD: | 5.6761 |
| logSw: | -5.8921 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.22 |
| InChI Key: | FAGBPBSWCWQPPE-IBGZPJMESA-N |