2-(azepan-1-yl)-5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
2-(azepan-1-yl)-5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | Y070-0907 |
| Compound Name: | 2-(azepan-1-yl)-5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C28 H30 N4 O2 S |
| Smiles: | CCOc1ccc(cc1C)c1c(/C=C2/C(N=C(N3CCCCCC3)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.2344 |
| logD: | 6.2344 |
| logSw: | -5.3384 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.769 |
| InChI Key: | IXFFBFLPSZMUPW-UHFFFAOYSA-N |