1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-4-phenylbutan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-4-phenylbutan-1-one
1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | P803-1891 |
| Compound Name: | 1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-4-phenylbutan-1-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C25 H30 N4 O2 |
| Smiles: | COc1ccc(cc1)c1cc([nH]n1)N1CCCN(CC1)C(CCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7949 |
| logD: | 4.7949 |
| logSw: | -4.6438 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.448 |
| InChI Key: | OPKYJSCDINFGFT-UHFFFAOYSA-N |