3-[5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]pyridine
Chemical Structure Depiction of
3-[5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]pyridine
3-[5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]pyridine
Compound characteristics
| Compound ID: | 8012-4604 |
| Compound Name: | 3-[5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]pyridine |
| Molecular Weight: | 386.86 |
| Molecular Formula: | C18 H15 Cl N4 O2 S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.856 |
| logD: | 3.8435 |
| logSw: | -4.3792 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.853 |
| InChI Key: | SXEQGAJBOONBRD-UHFFFAOYSA-N |