methyl 3-({[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V008-9933 |
| Compound Name: | methyl 3-({[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C24 H20 F N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(cc2)F)nnc1SCc1cccc(c1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.7626 |
| logD: | 5.7626 |
| logSw: | -5.5597 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.585 |
| InChI Key: | ZLRKTVYCLMDBQE-UHFFFAOYSA-N |