1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3-methylphenoxy)ethan-1-one
1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | P803-0987 |
| Compound Name: | 1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 424.93 |
| Molecular Formula: | C23 H25 Cl N4 O2 |
| Smiles: | Cc1cccc(c1)OCC(N1CCCN(CC1)c1cc(c2ccc(cc2)[Cl])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5106 |
| logD: | 4.5106 |
| logSw: | -4.6379 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.403 |
| InChI Key: | OFBUUCDZZOIHAY-UHFFFAOYSA-N |