TL;DR: Acetic acid, ((1-phenyl-1H-tetrazol-5-yl)thio)-, 2-(((4-chlorophenyl)amino)carbonyl)hydrazide (CAS 133506-47-5) is a chemical compound with molecular formula C16H14ClN7O2S and molecular weight 403.06183 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]urea
Also Known As: Acetic acid, ((1-phenyl-1H-tetrazol-5-yl)thio)-, 2-(((4-chlorophenyl)amino)carbonyl)hydrazide, ((1-Phenyl-1H-tetrazol-5-yl)thio)acetic acid 2-(((4-chlorophenyl)amino)carbonyl)hydrazide, 1-(4-chlorophenyl)-3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]urea, N-(4-Chlorophenyl)-2-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}hydrazine-1-carboxamide
| Molecular Formula | C16H14ClN7O2S |
| Molecular Weight | 403.06183 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.06183 Da |
| Heavy Atoms | 27 |
| Complexity | 501.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)NC3=CC=C(C=C3)Cl |
| InChIKey | CFRBPEAWSAFZIN-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((1-phenyl-1H-tetrazol-5-yl)thio)-, 2-(((4-chlorophenyl)amino)carbonyl)hydrazide. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((1-phenyl-1H-tetrazol-5-yl)thio)-, 2-(((4-chlorophenyl)amino)carbonyl)hydrazide. Following Lipinski's Rule of Five, Acetic acid, ((1-phenyl-1H-tetrazol-5-yl)thio)-, 2-(((4-chlorophenyl)amino)carbonyl)hydrazide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, ((1-phenyl-1H-tetrazol-5-yl)thio)-, 2-(((4-chlorophenyl)amino)carbonyl)hydrazide is 133506-47-5.
The molecular formula of Acetic acid, ((1-phenyl-1H-tetrazol-5-yl)thio)-, 2-(((4-chlorophenyl)amino)carbonyl)hydrazide is C16H14ClN7O2S.
The molecular weight of Acetic acid, ((1-phenyl-1H-tetrazol-5-yl)thio)-, 2-(((4-chlorophenyl)amino)carbonyl)hydrazide is 403.06183 g/mol.
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