5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0411 |
| Compound Name: | 5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 315.82 |
| Molecular Formula: | C12 H18 Cl N5 O S |
| Smiles: | CCOCCCn1c(c2c(c(C)nn2C)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.2347 |
| logD: | 1.1405 |
| logSw: | -2.3976 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.811 |
| InChI Key: | DNTBMWQULRLHSE-UHFFFAOYSA-N |