5-(4-tert-butylphenyl)-4-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-4-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(4-tert-butylphenyl)-4-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5933-0642 |
| Compound Name: | 5-(4-tert-butylphenyl)-4-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 343.88 |
| Molecular Formula: | C18 H18 Cl N3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NNC(N1c1cccc(c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.9729 |
| logD: | 3.816 |
| logSw: | -6.325 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.9733 |
| InChI Key: | MXTKVGGYCPVIAW-UHFFFAOYSA-N |