2-(azepan-1-yl)-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
2-(azepan-1-yl)-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | Y070-1065 |
| Compound Name: | 2-(azepan-1-yl)-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C23 H22 N4 O S2 |
| Smiles: | C1CCCN(CC1)C1=NC(/C(=C/c2cn(c3ccccc3)nc2c2cccs2)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2387 |
| logD: | 5.2387 |
| logSw: | -5.1374 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.577 |
| InChI Key: | GKRXHLBFRYKRCQ-UHFFFAOYSA-N |