methyl 2-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 2-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 2-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V004-7451 |
| Compound Name: | methyl 2-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C24 H20 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1CSc1nnc(Cc2ccccc2)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.661 |
| logD: | 5.661 |
| logSw: | -5.8544 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.862 |
| InChI Key: | MPZWTAQFGVEVSK-UHFFFAOYSA-N |