3-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-ethyl-5-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-ethyl-5-phenyl-4H-1,2,4-triazole
3-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-ethyl-5-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-6247 |
| Compound Name: | 3-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-ethyl-5-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C21 H18 N4 O2 S2 |
| Smiles: | CCn1c(c2ccccc2)nnc1SCc1csc(c2ccc3c(c2)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4976 |
| logD: | 5.4975 |
| logSw: | -5.6182 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.31 |
| InChI Key: | IMUKDNNOOZOCJB-UHFFFAOYSA-N |