TL;DR: 1-(3-(4-Morpholinyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-2-pyrrolidinone hydrochloride (CAS 117063-98-6) is a chemical compound with molecular formula C18H25ClN6O2S and molecular weight 424.14484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one;hydrochloride
Also Known As: 1-(3-(4-Morpholinyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-2-pyrrolidinone hydrochloride, 2-Pyrrolidinone, 1-(3-(4-morpholinyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-, monohydrochloride, 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one;hydrochloride, 1-(3-morpholino-2-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)pyrrolidin-2-one hydrochloride, 1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one hydrochloride
| Molecular Formula | C18H25ClN6O2S |
| Molecular Weight | 424.14484 g/mol |
| XLogP | 1.4994 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.14484 Da |
| Heavy Atoms | 28 |
| Complexity | 486.0 |
| SMILES | C1CC(=O)N(C1)CC(CN2CCOCC2)SC3=NN=NN3C4=CC=CC=C4.Cl |
| InChIKey | YRMAAROODAXJTO-UHFFFAOYSA-N |
The XLogP value of 1.4994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-(4-Morpholinyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-2-pyrrolidinone hydrochloride. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-(4-Morpholinyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-2-pyrrolidinone hydrochloride. Following Lipinski's Rule of Five, 1-(3-(4-Morpholinyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-2-pyrrolidinone hydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(3-(4-Morpholinyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-2-pyrrolidinone hydrochloride is 117063-98-6.
The molecular formula of 1-(3-(4-Morpholinyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-2-pyrrolidinone hydrochloride is C18H25ClN6O2S.
The molecular weight of 1-(3-(4-Morpholinyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-2-pyrrolidinone hydrochloride is 424.14484 g/mol.
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