(2S)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Chemical Structure Depiction of
(2S)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
(2S)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Compound characteristics
| Compound ID: | Y040-5601 |
| Compound Name: | (2S)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide |
| Molecular Weight: | 443.54 |
| Molecular Formula: | C21 H21 N3 O4 S2 |
| Smiles: | CC(C)[C@@H](C(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O)N1Cc2ccccc2C1=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0916 |
| logD: | 3.0909 |
| logSw: | -3.5975 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.885 |
| InChI Key: | MUCYDPHRSQODPK-SFHVURJKSA-N |