3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-9005 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C24 H22 F N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccc(cc2)F)nnc1SCc1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 7.0696 |
| logD: | 7.0696 |
| logSw: | -5.76 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | BNCPKTAZWOFRHK-UHFFFAOYSA-N |