3-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-methyl-5-(phenoxymethyl)-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-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole
3-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5190 |
| Compound Name: | 3-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C21 H18 N4 O3 S2 |
| Smiles: | Cn1c(COc2ccccc2)nnc1SCc1csc(c2ccc3c(c2)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3778 |
| logD: | 4.3777 |
| logSw: | -4.382 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.871 |
| InChI Key: | FLQMJSIRZMKEOG-UHFFFAOYSA-N |