3-{[(3-bromophenyl)methyl]sulfanyl}-5-[(3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]sulfanyl}-5-[(3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole
3-{[(3-bromophenyl)methyl]sulfanyl}-5-[(3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-6521 |
| Compound Name: | 3-{[(3-bromophenyl)methyl]sulfanyl}-5-[(3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 418.35 |
| Molecular Formula: | C19 H20 Br N3 O S |
| Smiles: | Cc1cc(C)cc(c1)OCc1nnc(n1C)SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8292 |
| logD: | 4.8292 |
| logSw: | -4.7316 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.526 |
| InChI Key: | BSMQHMISMCOGBF-UHFFFAOYSA-N |