2-{[2-(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[2-(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[2-(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K831-0148 |
| Compound Name: | 2-{[2-(4-methyl-3-nitrobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C25 H21 N3 O6 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(N1CCc2ccccc2C1CN1C(c2ccccc2C1=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.653 |
| logD: | 4.653 |
| logSw: | -4.4782 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.258 |
| InChI Key: | XZRRTSVRWQHNER-QHCPKHFHSA-N |