N-{5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide
N-{5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | D294-1010 |
| Compound Name: | N-{5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 458.92 |
| Molecular Formula: | C21 H19 Cl N4 O4 S |
| Smiles: | COc1ccc(cc1OC)C(Nc1nnc(C2CC(N(C2)c2ccc(cc2)[Cl])=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3897 |
| logD: | 3.0948 |
| logSw: | -3.9849 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.614 |
| InChI Key: | HASJNNNMEVWBTO-CYBMUJFWSA-N |