3-benzyl-5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-benzyl-5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8626 |
| Compound Name: | 3-benzyl-5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 373.88 |
| Molecular Formula: | C19 H17 Cl F N3 S |
| Smiles: | C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.1758 |
| logD: | 5.1758 |
| logSw: | -5.8754 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.1953 |
| InChI Key: | JQPCIMNGRPNCQD-UHFFFAOYSA-N |