3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazole
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-9051 |
| Compound Name: | 3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 415.56 |
| Molecular Formula: | C25 H25 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc(n1c1ccc(cc1)OC)SCc1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.7192 |
| logD: | 6.7191 |
| logSw: | -5.766 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | DYUTWLUWSGPHFO-UHFFFAOYSA-N |