3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8627 |
| Compound Name: | 3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 381.54 |
| Molecular Formula: | C22 H27 N3 O S |
| Smiles: | Cc1cccc(CSc2nnc(COc3ccc(cc3)C(C)(C)C)n2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6762 |
| logD: | 5.6762 |
| logSw: | -5.4959 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.526 |
| InChI Key: | LKCWJUJRIMTXNR-UHFFFAOYSA-N |