1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
Chemical Structure Depiction of
1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J006-0735 |
| Compound Name: | 1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane |
| Molecular Weight: | 367.51 |
| Molecular Formula: | C21 H25 N3 O S |
| Smiles: | COc1ccc(cc1)c1c(CN2CCCCCC2c2cccs2)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4909 |
| logD: | 2.68 |
| logSw: | -4.0958 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.642 |
| InChI Key: | RWKALEUFIYHCAG-IBGZPJMESA-N |