4-[({3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
4-[({3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9967 |
| Compound Name: | 4-[({3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | Cc1nnc(n1/N=C/c1ccc(c(COc2ccc(cc2)C(C)(C)C)c1)OC)S |
| Stereo: | ACHIRAL |
| logP: | 4.2986 |
| logD: | 3.5528 |
| logSw: | -4.3946 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.985 |
| InChI Key: | OSZHSQCBXJKQQU-UHFFFAOYSA-N |