1-(3,4-dimethylphenyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
1-(3,4-dimethylphenyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y031-4819 |
| Compound Name: | 1-(3,4-dimethylphenyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-5-oxopyrrolidine-3-carboxamide |
| Molecular Weight: | 443.54 |
| Molecular Formula: | C21 H21 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1C)N1CC(CC1=O)C(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9994 |
| logD: | 2.9959 |
| logSw: | -3.333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.59 |
| InChI Key: | DEKPPMLRJDYQFC-AWEZNQCLSA-N |