2-{[2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C324-3113 |
| Compound Name: | 2-{[2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 529.61 |
| Molecular Formula: | C29 H27 N3 O5 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(N1CCc2ccccc2C1CN1C(c2ccccc2C1=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1688 |
| logD: | 4.1688 |
| logSw: | -4.12 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.601 |
| InChI Key: | ICKRGSWXPJXGCP-SANMLTNESA-N |