N-(1,3-dimethyl-1H-pyrazol-4-yl)azepane-1-carbothioamide
Chemical Structure Depiction of
N-(1,3-dimethyl-1H-pyrazol-4-yl)azepane-1-carbothioamide
N-(1,3-dimethyl-1H-pyrazol-4-yl)azepane-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-3453 |
| Compound Name: | N-(1,3-dimethyl-1H-pyrazol-4-yl)azepane-1-carbothioamide |
| Molecular Weight: | 252.38 |
| Molecular Formula: | C12 H20 N4 S |
| Smiles: | Cc1c(cn(C)n1)NC(N1CCCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.0864 |
| logD: | 2.0864 |
| logSw: | -2.2959 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.9319 |
| InChI Key: | XEVIDBWQTICYFD-UHFFFAOYSA-N |