3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-7257 |
| Compound Name: | 3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 353.46 |
| Molecular Formula: | C20 H20 F N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3ccccc3F)n2CC=C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 5.3932 |
| logD: | 5.3932 |
| logSw: | -5.6723 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.2191 |
| InChI Key: | KSSBHEDVWZPBJB-UHFFFAOYSA-N |