5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-3089 |
| Compound Name: | 5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 327.45 |
| Molecular Formula: | C17 H21 N5 S |
| Smiles: | CC(c1ccccc1)n1c(c2cc(C(C)(C)C)n[nH]2)nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9222 |
| logD: | 3.8279 |
| logSw: | -3.9347 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.171 |
| InChI Key: | ZZZAPGSPUOTQRY-NSHDSACASA-N |