4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]butanamide
Chemical Structure Depiction of
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]butanamide
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | G786-1633 |
| Compound Name: | 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]butanamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)sc(NC(CCCN1C(c3ccccc3C1=O)=O)=O)n2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6619 |
| logD: | 2.6616 |
| logSw: | -3.4921 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.457 |
| InChI Key: | JNNQIMVDDDIGNA-UHFFFAOYSA-N |