[1-(4-methoxyphenyl)cyclopropyl]{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
[1-(4-methoxyphenyl)cyclopropyl]{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
[1-(4-methoxyphenyl)cyclopropyl]{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | P803-1933 |
| Compound Name: | [1-(4-methoxyphenyl)cyclopropyl]{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C26 H30 N4 O3 |
| Smiles: | COc1ccc(cc1)c1cc([nH]n1)N1CCCN(CC1)C(C1(CC1)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2064 |
| logD: | 4.2064 |
| logSw: | -4.2069 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.771 |
| InChI Key: | YBFBPSVPQQDQIL-UHFFFAOYSA-N |