3-(2H-1,3-benzodioxol-5-yl)-4-ethyl-5-({[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-4-ethyl-5-({[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(2H-1,3-benzodioxol-5-yl)-4-ethyl-5-({[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8957 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-4-ethyl-5-({[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C22 H20 N4 O2 S2 |
| Smiles: | CCn1c(c2ccc3c(c2)OCO3)nnc1SCc1csc(c2ccc(C)cc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0435 |
| logD: | 6.0434 |
| logSw: | -5.5881 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.31 |
| InChI Key: | OQXPLXXSSANLTJ-UHFFFAOYSA-N |