2,6-bis{[3-(2-methylpropyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}cyclohexan-1-one
Chemical Structure Depiction of
2,6-bis{[3-(2-methylpropyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}cyclohexan-1-one
2,6-bis{[3-(2-methylpropyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}cyclohexan-1-one
Compound characteristics
| Compound ID: | C151-0497 |
| Compound Name: | 2,6-bis{[3-(2-methylpropyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}cyclohexan-1-one |
| Molecular Weight: | 518.7 |
| Molecular Formula: | C34 H38 N4 O |
| Smiles: | CC(C)Cc1c(\C=C2/CCC/C(=C\c3cn(c4ccccc4)nc3CC(C)C)C2=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 8.0924 |
| logD: | 8.0924 |
| logSw: | -5.7517 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.833 |
| InChI Key: | NCKZJLRIHSSBFY-UHFFFAOYSA-N |