2-(4-chlorophenyl)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(4-chlorophenyl)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P803-1533 |
| Compound Name: | 2-(4-chlorophenyl)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 422.96 |
| Molecular Formula: | C24 H27 Cl N4 O |
| Smiles: | Cc1ccc(cc1C)c1cc([nH]n1)N1CCCN(CC1)C(Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3798 |
| logD: | 5.3798 |
| logSw: | -5.9614 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.904 |
| InChI Key: | PJDULZDWQSFMQU-UHFFFAOYSA-N |