3-[(3,4-dimethylphenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(3,4-dimethylphenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-[(3,4-dimethylphenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8009-0425 |
| Compound Name: | 3-[(3,4-dimethylphenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C25 H25 N3 O2 S |
| Smiles: | Cc1ccc(cc1C)OCc1nnc(n1c1ccccc1)SCc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4275 |
| logD: | 5.4275 |
| logSw: | -5.434 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.732 |
| InChI Key: | JOINTTHDTAORAQ-UHFFFAOYSA-N |