2-{[2-(4-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[2-(4-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[2-(4-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K831-0162 |
| Compound Name: | 2-{[2-(4-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 477.49 |
| Molecular Formula: | C24 H19 N3 O6 S |
| Smiles: | C1CN(C(CN2C(c3ccccc3C2=O)=O)c2ccccc12)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0083 |
| logD: | 4.0083 |
| logSw: | -4.3026 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.559 |
| InChI Key: | WOHYVKHSWOLCDE-QFIPXVFZSA-N |