TL;DR: 4-fluoro-N-(2-((1S,2S)-2-phenylcyclopropanecarbonyl)hydrazinecarbonothioyl)benzamide (CAS 1212151-17-1) is a chemical compound with molecular formula C18H16FN3O2S and molecular weight 357.09473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-fluoro-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide
Also Known As: 4-fluoro-N-(2-((1S,2S)-2-phenylcyclopropanecarbonyl)hydrazinecarbonothioyl)benzamide, 4-fluoro-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]benzamide, 4-fluoro-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide, 4-Fluoro-N-[N'-((1S,2S)-2-phenyl-cyclopropanecarbonyl)-hydrazinocarbothioyl]-benzamide
| Molecular Formula | C18H16FN3O2S |
| Molecular Weight | 357.09473 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.09473 Da |
| Heavy Atoms | 25 |
| Complexity | 516.0 |
| SMILES | C1[C@@H]([C@H]1C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 |
| InChIKey | IXRUHKBVDMDINP-CABCVRRESA-N |
The XLogP value of 3.4 indicates that 4-fluoro-N-(2-((1S,2S)-2-phenylcyclopropanecarbonyl)hydrazinecarbonothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluoro-N-(2-((1S,2S)-2-phenylcyclopropanecarbonyl)hydrazinecarbonothioyl)benzamide. Following Lipinski's Rule of Five, 4-fluoro-N-(2-((1S,2S)-2-phenylcyclopropanecarbonyl)hydrazinecarbonothioyl)benzamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-fluoro-N-(2-((1S,2S)-2-phenylcyclopropanecarbonyl)hydrazinecarbonothioyl)benzamide is 1212151-17-1.
The molecular formula of 4-fluoro-N-(2-((1S,2S)-2-phenylcyclopropanecarbonyl)hydrazinecarbonothioyl)benzamide is C18H16FN3O2S.
The molecular weight of 4-fluoro-N-(2-((1S,2S)-2-phenylcyclopropanecarbonyl)hydrazinecarbonothioyl)benzamide is 357.09473 g/mol.
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