2-(4-chloro-3,5-dimethylphenoxy)-1-{(7E)-3-(thiophen-2-yl)-7-[(thiophen-2-yl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chloro-3,5-dimethylphenoxy)-1-{(7E)-3-(thiophen-2-yl)-7-[(thiophen-2-yl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}ethan-1-one
2-(4-chloro-3,5-dimethylphenoxy)-1-{(7E)-3-(thiophen-2-yl)-7-[(thiophen-2-yl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | 6049-0365 |
| Compound Name: | 2-(4-chloro-3,5-dimethylphenoxy)-1-{(7E)-3-(thiophen-2-yl)-7-[(thiophen-2-yl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}ethan-1-one |
| Molecular Weight: | 497.08 |
| Molecular Formula: | C26 H25 Cl N2 O2 S2 |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCC(N1C(C2CCC/C(=C\c3cccs3)C2=N1)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1728 |
| logD: | 7.1728 |
| logSw: | -6.4984 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.558 |
| InChI Key: | VYWINYAFIZZWBR-UHFFFAOYSA-N |