2-{[2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C324-2822 |
| Compound Name: | 2-{[2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 515.59 |
| Molecular Formula: | C28 H25 N3 O5 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(N1CCc2ccccc2C1CN1C(c2ccccc2C1=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.535 |
| logD: | 3.535 |
| logSw: | -3.8462 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.596 |
| InChI Key: | UHHAWEABBCXOHN-SANMLTNESA-N |