1-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(3-methylthiophen-2-yl)azepane
Chemical Structure Depiction of
1-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(3-methylthiophen-2-yl)azepane
1-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(3-methylthiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J006-0987 |
| Compound Name: | 1-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(3-methylthiophen-2-yl)azepane |
| Molecular Weight: | 365.54 |
| Molecular Formula: | C22 H27 N3 S |
| Smiles: | Cc1ccc(cc1)c1c(CN2CCCCCC2c2c(C)ccs2)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5012 |
| logD: | 3.902 |
| logSw: | -5.3864 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.0985 |
| InChI Key: | MZWZWXURZPJETO-FQEVSTJZSA-N |