5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol
5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8468 |
| Compound Name: | 5-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 301.8 |
| Molecular Formula: | C11 H16 Cl N5 O S |
| Smiles: | COCCCn1c(CCn2cc(cn2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 0.8306 |
| logD: | 0.6229 |
| logSw: | -1.5758 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.039 |
| InChI Key: | HFZYAVZLVVSUJT-UHFFFAOYSA-N |