methyl 3-{(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}benzoate
Chemical Structure Depiction of
methyl 3-{(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}benzoate
methyl 3-{(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}benzoate
Compound characteristics
| Compound ID: | S338-0093 |
| Compound Name: | methyl 3-{(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}benzoate |
| Molecular Weight: | 411.84 |
| Molecular Formula: | C21 H18 Cl N3 O4 |
| Smiles: | COC(c1cccc(c1)C(N1CCC[C@H]1c1nc(c2ccccc2[Cl])no1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.1151 |
| logD: | 4.1151 |
| logSw: | -4.4377 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.526 |
| InChI Key: | YUSDBETWNOVULX-KRWDZBQOSA-N |