{4-[(1-hydroxycyclohexyl)ethynyl]phenyl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{4-[(1-hydroxycyclohexyl)ethynyl]phenyl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
{4-[(1-hydroxycyclohexyl)ethynyl]phenyl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | 8011-8106 |
| Compound Name: | {4-[(1-hydroxycyclohexyl)ethynyl]phenyl}[4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C25 H27 N3 O4 |
| Smiles: | C1CCC(CC1)(C#Cc1ccc(cc1)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.6077 |
| logD: | 4.6077 |
| logSw: | -4.3336 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.022 |
| InChI Key: | NKJYSUYUXPFCBV-UHFFFAOYSA-N |