2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)hexahydro-1H-isoindole-1,3(2H)-dione
2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8011-6338 |
| Compound Name: | 2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | C1CCC2C(C1)C(N(C2=O)c1ccc2c(c1)sc(n2)SCC(N1CCc2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1341 |
| logD: | 4.1341 |
| logSw: | -4.3361 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.305 |
| InChI Key: | KKKIQZSJLMKDCY-UHFFFAOYSA-N |