methyl 4-(2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8009-0407 |
| Compound Name: | methyl 4-(2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 503.55 |
| Molecular Formula: | C25 H17 N3 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)N1C(c2ccccc2C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.833 |
| logD: | 4.8329 |
| logSw: | -4.6194 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.013 |
| InChI Key: | HBNVETAEONDVSX-UHFFFAOYSA-N |