4-methyl-3-[(3-methylphenoxy)methyl]-5-({[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-methyl-3-[(3-methylphenoxy)methyl]-5-({[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
4-methyl-3-[(3-methylphenoxy)methyl]-5-({[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-6523 |
| Compound Name: | 4-methyl-3-[(3-methylphenoxy)methyl]-5-({[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C22 H22 N4 O S2 |
| Smiles: | Cc1ccc(cc1)c1nc(CSc2nnc(COc3cccc(C)c3)n2C)cs1 |
| Stereo: | ACHIRAL |
| logP: | 5.4177 |
| logD: | 5.4177 |
| logSw: | -5.4411 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.755 |
| InChI Key: | PCQMZNUMHXBEHR-UHFFFAOYSA-N |