4-chloro-N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
4-chloro-N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide
4-chloro-N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | D294-0101 |
| Compound Name: | 4-chloro-N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1CC(CC1=O)c1nnc(NC(c2ccc(cc2)[Cl])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7513 |
| logD: | 2.9062 |
| logSw: | -4.8243 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.353 |
| InChI Key: | XDDNTRUXKWFXRN-HNNXBMFYSA-N |