1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenoxy)ethan-1-one
1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | P803-1098 |
| Compound Name: | 1-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenoxy)ethan-1-one |
| Molecular Weight: | 440.93 |
| Molecular Formula: | C23 H25 Cl N4 O3 |
| Smiles: | COc1ccc(cc1)OCC(N1CCCN(CC1)c1cc(c2ccc(cc2)[Cl])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0017 |
| logD: | 4.0017 |
| logSw: | -4.5076 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.947 |
| InChI Key: | UXFFGQDFQIATOY-UHFFFAOYSA-N |