N-{5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
N-{5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | D294-1648 |
| Compound Name: | N-{5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 488.95 |
| Molecular Formula: | C22 H21 Cl N4 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1nnc(C2CC(N(C2)c2ccc(cc2)[Cl])=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5463 |
| logD: | 3.4529 |
| logSw: | -4.0989 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.331 |
| InChI Key: | HIUBWZFXDYHREL-CYBMUJFWSA-N |