3-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclohexyl-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclohexyl-4-methyl-4H-1,2,4-triazole
3-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclohexyl-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5854 |
| Compound Name: | 3-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclohexyl-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C20 H22 N4 O2 S2 |
| Smiles: | Cn1c(C2CCCCC2)nnc1SCc1csc(c2ccc3c(c2)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2001 |
| logD: | 5.1998 |
| logSw: | -5.0651 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.588 |
| InChI Key: | BUVLROBNIJXRCZ-UHFFFAOYSA-N |