2-{[2-(2,5-dichlorothiophene-3-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[2-(2,5-dichlorothiophene-3-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[2-(2,5-dichlorothiophene-3-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K831-0169 |
| Compound Name: | 2-{[2-(2,5-dichlorothiophene-3-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 507.41 |
| Molecular Formula: | C22 H16 Cl2 N2 O4 S2 |
| Smiles: | C1CN(C(CN2C(c3ccccc3C2=O)=O)c2ccccc12)S(c1cc(sc1[Cl])[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8736 |
| logD: | 4.8736 |
| logSw: | -4.9131 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.196 |
| InChI Key: | TYJDGASZKYEMJK-KRWDZBQOSA-N |