N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}azepane-1-carbothioamide
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}azepane-1-carbothioamide
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}azepane-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-5833 |
| Compound Name: | N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}azepane-1-carbothioamide |
| Molecular Weight: | 356.53 |
| Molecular Formula: | C20 H28 N4 S |
| Smiles: | Cc1ccccc1Cn1c(C)c(c(C)n1)NC(N1CCCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3018 |
| logD: | 4.3018 |
| logSw: | -4.1115 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.3539 |
| InChI Key: | XCXBPJCDIWJNSA-UHFFFAOYSA-N |