5-[(3-nitrophenyl)methylidene]-2-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
5-[(3-nitrophenyl)methylidene]-2-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one
5-[(3-nitrophenyl)methylidene]-2-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | Y501-2624 |
| Compound Name: | 5-[(3-nitrophenyl)methylidene]-2-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C21 H24 N6 O3 S |
| Smiles: | Cc1c(CN2CCN(CC2)C2=NC(/C(=C/c3cccc(c3)[N+]([O-])=O)S2)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8477 |
| logD: | -1.3042 |
| logSw: | -2.4756 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.356 |
| InChI Key: | CYCOULDYSXEEQB-UHFFFAOYSA-N |