1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
Chemical Structure Depiction of
1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
Compound characteristics
Compound ID: | J006-0968 |
Compound Name: | 1-{[3-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane |
Molecular Weight: | 397.54 |
Molecular Formula: | C22 H27 N3 O2 S |
Smiles: | COc1ccc(c(c1)c1c(CN2CCCCCC2c2cccs2)c[nH]n1)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4982 |
logD: | 2.9429 |
logSw: | -4.2792 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.273 |
InChI Key: | JINHFIWIPRSXSW-IBGZPJMESA-N |