1-(3-chloro-4-methylphenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
1-(3-chloro-4-methylphenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y031-3961 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])N1CC(CC1=O)C(Nc1nc2CC(C)(C)CC(c2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9864 |
| logD: | 2.8313 |
| logSw: | -4.3105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.795 |
| InChI Key: | KBNPFSLWXFFFEH-GFCCVEGCSA-N |