TL;DR: (5Z)-5-[(3-{3-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one (CAS 1009770-36-8) is a chemical compound with molecular formula C29H24FN3O2S2 and molecular weight 529.1294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-[(3-{3-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((3-(3-((2-fluorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-isopropyl-2-thioxothiazolidin-4-one
| Molecular Formula | C29H24FN3O2S2 |
| Molecular Weight | 529.1294 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.1294 Da |
| Heavy Atoms | 37 |
| Complexity | 849.0 |
| SMILES | CC(C)N1C(=O)/C(=C/C2=CN(N=C2C3=CC(=CC=C3)OCC4=CC=CC=C4F)C5=CC=CC=C5)/SC1=S |
| InChIKey | JIESLYWBCGWBBA-QQXSKIMKSA-N |
The XLogP value of 7.0 indicates that (5Z)-5-[(3-{3-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[(3-{3-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-5-[(3-{3-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5Z)-5-[(3-{3-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one is 1009770-36-8.
The molecular formula of (5Z)-5-[(3-{3-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one is C29H24FN3O2S2.
The molecular weight of (5Z)-5-[(3-{3-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one is 529.1294 g/mol.
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