TL;DR: (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 1020481-98-4) is a chemical compound with molecular formula C30H24FN3O4S3 and molecular weight 605.0913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(1,1-dioxothiolan-3-yl)-5-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C30H24FN3O4S3 |
| Molecular Weight | 605.0913 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 605.0913 Da |
| Heavy Atoms | 41 |
| Complexity | 1100.0 |
| SMILES | C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CN(N=C3C4=CC(=CC=C4)OCC5=CC=C(C=C5)F)C6=CC=CC=C6)/SC2=S |
| InChIKey | NQBQIOUJOPCOSM-YUMHPJSZSA-N |
The XLogP value of 5.7 indicates that (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is 1020481-98-4.
The molecular formula of (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is C30H24FN3O4S3.
The molecular weight of (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is 605.0913 g/mol.
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