3-(2H-1,3-benzodioxol-5-yl)-5-{[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-{[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(2H-1,3-benzodioxol-5-yl)-5-{[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-0818 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-{[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C22 H18 N4 O2 S2 |
| Smiles: | C=CCn1c(c2ccc3c(c2)OCO3)nnc1SCc1csc(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7268 |
| logD: | 5.7268 |
| logSw: | -6.1504 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.564 |
| InChI Key: | FFCDSDUTZZCIIW-UHFFFAOYSA-N |