methyl 2-[({2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 2-[({2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]benzoate
methyl 2-[({2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | V001-6324 |
| Compound Name: | methyl 2-[({2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]benzoate |
| Molecular Weight: | 407.91 |
| Molecular Formula: | C19 H15 Cl F N O2 S2 |
| Smiles: | COC(c1ccccc1SCc1csc(Cc2ccc(cc2[Cl])F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.932 |
| logD: | 5.932 |
| logSw: | -5.9465 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.865 |
| InChI Key: | DWFDZHBKFLHSLI-UHFFFAOYSA-N |