2-{[2-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[2-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[2-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C069-0962 |
| Compound Name: | 2-{[2-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 594.48 |
| Molecular Formula: | C28 H24 Br N3 O5 S |
| Smiles: | CC(N1CCc2cc(c(cc12)S(N1CCc2ccccc2C1CN1C(c2ccccc2C1=O)=O)(=O)=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1684 |
| logD: | 4.1684 |
| logSw: | -4.2177 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.596 |
| InChI Key: | TVGPHRCCUBCSPU-VWLOTQADSA-N |