methyl 3-{3-[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}benzoate
Chemical Structure Depiction of
methyl 3-{3-[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}benzoate
methyl 3-{3-[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}benzoate
Compound characteristics
| Compound ID: | S343-0228 |
| Compound Name: | methyl 3-{3-[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl}benzoate |
| Molecular Weight: | 415.81 |
| Molecular Formula: | C20 H15 Cl F N3 O4 |
| Smiles: | COC(c1cccc(c1)c1nc(C2CC(N(C2)c2ccc(c(c2)[Cl])F)=O)no1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.963 |
| logD: | 3.963 |
| logSw: | -4.388 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.568 |
| InChI Key: | XQAVJOHSFDZSRO-CYBMUJFWSA-N |