N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y042-4332 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide |
| Molecular Weight: | 409.52 |
| Molecular Formula: | C18 H23 N3 O4 S2 |
| Smiles: | CC(C)CCN1CC(CC1=O)C(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.739 |
| logD: | 1.738 |
| logSw: | -2.6674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.285 |
| InChI Key: | BVTQNKWFTBMTDJ-LBPRGKRZSA-N |