1-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
Chemical Structure Depiction of
1-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
1-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J006-0753 |
| Compound Name: | 1-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(thiophen-2-yl)azepane |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | COc1ccc(cc1OC)c1c(CN2CCCCCC2c2cccs2)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2192 |
| logD: | 2.4084 |
| logSw: | -4.1797 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.359 |
| InChI Key: | NANSURGIDQRDOQ-SFHVURJKSA-N |