2-(4-chloro-2-methylphenoxy)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chloro-2-methylphenoxy)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(4-chloro-2-methylphenoxy)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P803-1612 |
| Compound Name: | 2-(4-chloro-2-methylphenoxy)-1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C25 H29 Cl N4 O2 |
| Smiles: | Cc1ccc(cc1C)c1cc([nH]n1)N1CCCN(CC1)C(COc1ccc(cc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7896 |
| logD: | 5.7896 |
| logSw: | -5.9746 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.49 |
| InChI Key: | ZFBIHAFTSGGQTI-UHFFFAOYSA-N |