AC1Q5KAF
(4S,5S)-5-(4-ethoxyphenyl)-1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
Also Known As: tetrabromodiazocyclopentadiene|KST-1A4919|C23H27N3O3.ClH.1/2H2O|C23-H27-N3-O3.Cl-H.1/2H2-O|Piperazine, 1-((2-(4-ethoxyphenyl)-5-oxo-1-phenyl-3-pyrrolidinyl)carbonyl)-, trans-, hydrochloride, hydrate (2:2:1)|(4s,5s)-5-(4-ethoxyphenyl)-1-phenyl-4-(piperazin-1-ylcarbonyl)pyrrolidin-2-one hydrochloride(1:1)|Trans-5-(4-ethoxyphenyl)-1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one hydrochloride|(4S,5S)-5-(4-ethoxyphenyl)-1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one hydrochloride|(4S,5S)-5-(4-ethoxyphenyl)-1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one,hydrochloride|(4S,5S)-5-(4-Ethoxyphenyl)-1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one--hydrogen chloride (1/1)|cis-Phenyl-1 oxo-2 piperazinocarbonyl-4 p-ethoxyphenyl-5 pyrrolidine chlorhydrate hemihydrate
| Molecular Formula | C23H28ClN3O3 |
|---|---|
| Molecular Weight | 429.18192 g/mol |
| LogP | 3.0331 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.18192 |
| Monoisotopic Mass | 429.18192 |
| Heavy Atoms | 30 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 4664-17-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)[C@@H]2[C@H](CC(=O)N2C3=CC=CC=C3)C(=O)N4CCNCC4.Cl |
| InChIKey | OQHQTNNFTBXQPU-IKGOIYPNSA-N |
Product Overview
AC1Q5KAF (CAS 4664-17-9), with molecular formula C23H28ClN3O3 and molecular weight 429.18192 g/mol. IUPAC: (4S,5S)-5-(4-ethoxyphenyl)-1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.
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