5-bromo-3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
5-bromo-3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
5-bromo-3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 5056-0054 |
| Compound Name: | 5-bromo-3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 426.31 |
| Molecular Formula: | C22 H20 Br N O3 |
| Smiles: | CC(C)c1ccc(cc1)C(CC1(C(N(CC#C)c2ccc(cc12)[Br])=O)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5656 |
| logD: | 4.5656 |
| logSw: | -4.319 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.293 |
| InChI Key: | YQJRPMXGIYDKBY-QFIPXVFZSA-N |