2-{[2-(5-methyl-2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[2-(5-methyl-2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[2-(5-methyl-2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8012-7098 |
| Compound Name: | 2-{[2-(5-methyl-2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C25 H20 N4 O4 S2 |
| Smiles: | Cc1ccc2c(c1S(N1CCc3ccccc3C1CN1C(c3ccccc3C1=O)=O)(=O)=O)nsn2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4683 |
| logD: | 4.4683 |
| logSw: | -4.3142 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.13 |
| InChI Key: | BUPPLBRXWALTCE-NRFANRHFSA-N |