4-({5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
Chemical Structure Depiction of
4-({5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
4-({5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
Compound characteristics
| Compound ID: | D294-1251 |
| Compound Name: | 4-({5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | CCc1ccc(cc1)N1CC(CC1=O)c1nnc(NC(c2ccc(cc2)OC(C)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5807 |
| logD: | 2.887 |
| logSw: | -3.6484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.104 |
| InChI Key: | XCVKFHKOCWYFBB-KRWDZBQOSA-N |