5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0155 |
| Compound Name: | 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 349.84 |
| Molecular Formula: | C15 H16 Cl N5 O S |
| Smiles: | CCOc1ccc(cc1)n1c(c2c(c(C)n(C)n2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.5531 |
| logD: | 1.6622 |
| logSw: | -3.2668 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.614 |
| InChI Key: | LCYLXCFNKDTOIB-UHFFFAOYSA-N |