[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl][4-(4-nitrophenyl)piperazin-1-yl]methanone
[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | 3472-2297 |
| Compound Name: | [4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl][4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | CC(C)(C#Cc1ccc(cc1)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.6822 |
| logD: | 3.6822 |
| logSw: | -3.8728 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.716 |
| InChI Key: | OKZQFTSGJJHHIS-UHFFFAOYSA-N |