2-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one--acetic acid (1/1)
Chemical Structure Depiction of
2-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one--acetic acid (1/1)
2-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one--acetic acid (1/1)
Compound characteristics
| Compound ID: | Y070-1028 |
| Compound Name: | 2-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one--acetic acid (1/1) |
| Molecular Weight: | 538.63 |
| Molecular Formula: | C28 H22 N4 O2 S |
| Salt: | CH3COOH |
| Smiles: | CCOc1ccc(cc1C)c1c(\C=C2/C(n3c4ccccc4nc3S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1142 |
| logD: | 6.1142 |
| logSw: | -5.4875 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.296 |
| InChI Key: | JNURMYJJNVYPHU-PCLIKHOPSA-N |