N-{5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-propanamidobenzamide
Chemical Structure Depiction of
N-{5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-propanamidobenzamide
N-{5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-propanamidobenzamide
Compound characteristics
| Compound ID: | D294-3541 |
| Compound Name: | N-{5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-propanamidobenzamide |
| Molecular Weight: | 483.98 |
| Molecular Formula: | C23 H22 Cl N5 O3 S |
| Smiles: | CCC(Nc1ccc(cc1)C(Nc1nnc(C2CC(N(C2)c2ccc(C)c(c2)[Cl])=O)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1096 |
| logD: | 2.977 |
| logSw: | -4.4898 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.502 |
| InChI Key: | ZIUPKDVQEBOSAL-OAHLLOKOSA-N |