4-({5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
Chemical Structure Depiction of
4-({5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
4-({5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
Compound characteristics
| Compound ID: | D294-1235 |
| Compound Name: | 4-({5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | CC(=O)Oc1ccc(cc1)C(Nc1nnc(C2CC(N(C2)c2ccccc2C)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0322 |
| logD: | 2.3385 |
| logSw: | -3.3875 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.803 |
| InChI Key: | MHCQBSDRYWGXFG-INIZCTEOSA-N |