2-{3-[2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-en-1-yl]-1H-indol-1-yl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{3-[2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-en-1-yl]-1H-indol-1-yl}-N-[(oxolan-2-yl)methyl]acetamide
2-{3-[2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-en-1-yl]-1H-indol-1-yl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | 8012-7349 |
| Compound Name: | 2-{3-[2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-en-1-yl]-1H-indol-1-yl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 497.6 |
| Molecular Formula: | C29 H31 N5 O3 |
| Smiles: | C1CC(CNC(Cn2cc(\C=C(/C#N)C(N3CCN(CC3)c3ccccc3)=O)c3ccccc23)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.55 |
| logD: | 2.5499 |
| logSw: | -2.6637 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.061 |
| InChI Key: | ULFWUXJYABPDGS-RUZDIDTESA-N |