methyl 2-(2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G731-0388 |
| Compound Name: | methyl 2-(2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 386.4 |
| Molecular Formula: | C18 H15 F N4 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnc(c2ccc(cc2)F)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6144 |
| logD: | 1.4227 |
| logSw: | -3.3323 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.099 |
| InChI Key: | AWSOEPUOKNLMPP-UHFFFAOYSA-N |