5-bromo-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
5-bromo-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
5-bromo-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 5056-0053 |
| Compound Name: | 5-bromo-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 412.28 |
| Molecular Formula: | C21 H18 Br N O3 |
| Smiles: | CCc1ccc(cc1)C(CC1(C(N(CC#C)c2ccc(cc12)[Br])=O)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1581 |
| logD: | 4.1581 |
| logSw: | -4.2282 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.293 |
| InChI Key: | NSRGFKGRVWLPMO-NRFANRHFSA-N |