(4-chloro-1-ethyl-1H-pyrazol-3-yl){(7E)-3-(thiophen-2-yl)-7-[(thiophen-2-yl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone
Chemical Structure Depiction of
(4-chloro-1-ethyl-1H-pyrazol-3-yl){(7E)-3-(thiophen-2-yl)-7-[(thiophen-2-yl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone
(4-chloro-1-ethyl-1H-pyrazol-3-yl){(7E)-3-(thiophen-2-yl)-7-[(thiophen-2-yl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone
Compound characteristics
| Compound ID: | Y501-7376 |
| Compound Name: | (4-chloro-1-ethyl-1H-pyrazol-3-yl){(7E)-3-(thiophen-2-yl)-7-[(thiophen-2-yl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone |
| Molecular Weight: | 457.01 |
| Molecular Formula: | C22 H21 Cl N4 O S2 |
| Smiles: | CCn1cc(c(C(N2C(C3CCC/C(=C\c4cccs4)C3=N2)c2cccs2)=O)n1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.086 |
| logD: | 5.086 |
| logSw: | -5.3113 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.634 |
| InChI Key: | LAYGSBQLNPJVMR-UHFFFAOYSA-N |