4-({5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
Chemical Structure Depiction of
4-({5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
4-({5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
Compound characteristics
| Compound ID: | D294-1253 |
| Compound Name: | 4-({5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate |
| Molecular Weight: | 470.93 |
| Molecular Formula: | C22 H19 Cl N4 O4 S |
| Smiles: | CC(=O)Oc1ccc(cc1)C(Nc1nnc(C2CC(N(C2)c2ccc(C)c(c2)[Cl])=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8798 |
| logD: | 3.1861 |
| logSw: | -4.4507 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.104 |
| InChI Key: | XCQJPFYZGUWPNJ-OAHLLOKOSA-N |