2-({2-[5-bromo-1-(cyclopropanecarbonyl)-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-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione
2-({2-[5-bromo-1-(cyclopropanecarbonyl)-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: | C137-2327 |
| Compound Name: | 2-({2-[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-6-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 620.52 |
| Molecular Formula: | C30 H26 Br N3 O5 S |
| Smiles: | C1CN(C(CN2C(c3ccccc3C2=O)=O)c2ccccc12)S(c1cc2c(CCN2C(C2CC2)=O)cc1[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9796 |
| logD: | 4.9796 |
| logSw: | -4.7814 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.38 |
| InChI Key: | SUYMSBJDAWHWRP-SANMLTNESA-N |