5,5-dimethyl-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}cyclohexane-1,3-dione
Chemical Structure Depiction of
5,5-dimethyl-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}cyclohexane-1,3-dione
5,5-dimethyl-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4476-4502 |
| Compound Name: | 5,5-dimethyl-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}cyclohexane-1,3-dione |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C22 H20 N2 O2 S |
| Smiles: | CC1(C)CC(C(=Cc2cn(c3ccccc3)nc2c2cccs2)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2679 |
| logD: | 4.2679 |
| logSw: | -4.3498 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.306 |
| InChI Key: | DJFUACMCJHXMEC-UHFFFAOYSA-N |