2,6-bis[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]cyclohexan-1-one
Chemical Structure Depiction of
2,6-bis[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]cyclohexan-1-one
2,6-bis[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]cyclohexan-1-one
Compound characteristics
| Compound ID: | 6049-0083 |
| Compound Name: | 2,6-bis[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]cyclohexan-1-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C30 H30 N4 O |
| Smiles: | Cc1c(\C=C2/CCC/C(=C\c3c(C)nn(c4ccccc4)c3C)C2=O)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4522 |
| logD: | 5.4522 |
| logSw: | -5.3587 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.87 |
| InChI Key: | XRYIVTXKTASVRC-UHFFFAOYSA-N |