2-{[2-(5-chloro-3-methyl-1-benzothiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[2-(5-chloro-3-methyl-1-benzothiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[2-(5-chloro-3-methyl-1-benzothiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K831-0151 |
| Compound Name: | 2-{[2-(5-chloro-3-methyl-1-benzothiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 537.06 |
| Molecular Formula: | C27 H21 Cl N2 O4 S2 |
| Smiles: | Cc1c2cc(ccc2sc1S(N1CCc2ccccc2C1CN1C(c2ccccc2C1=O)=O)(=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3364 |
| logD: | 6.3364 |
| logSw: | -6.0205 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.924 |
| InChI Key: | MUKIHOAICPFTBS-QHCPKHFHSA-N |