methyl 2-[2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetamido]benzoate
methyl 2-[2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | F034-0439 |
| Compound Name: | methyl 2-[2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 401.41 |
| Molecular Formula: | C19 H16 F N3 O4 S |
| Smiles: | COC(c1ccccc1NC(CSCc1nc(c2ccc(cc2)F)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0643 |
| logD: | 4.0498 |
| logSw: | -4.3053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.935 |
| InChI Key: | ROKFLELXRZUVIS-UHFFFAOYSA-N |