4-[5-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]pyridine
Chemical Structure Depiction of
4-[5-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]pyridine
4-[5-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]pyridine
Compound characteristics
| Compound ID: | Y206-6514 |
| Compound Name: | 4-[5-({[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]pyridine |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C21 H17 N5 O2 S2 |
| Smiles: | C=CCn1c(c2ccncc2)nnc1SCc1csc(c2ccc3c(c2)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5654 |
| logD: | 4.564 |
| logSw: | -4.5192 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.992 |
| InChI Key: | XNXBZKJLTOAJNF-UHFFFAOYSA-N |