methyl 3-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V007-5970 |
| Compound Name: | methyl 3-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 453.92 |
| Molecular Formula: | C23 H17 Cl F N3 O2 S |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CSc2nnc(c3ccccc3[Cl])n2c2ccccc2F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5597 |
| logD: | 5.5597 |
| logSw: | -5.7217 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.585 |
| InChI Key: | JINIZFWRBIMJDN-UHFFFAOYSA-N |