(S)-N-(4-Fluorophenyl)-1-[hydroxy[4-(phenylmethoxy)phenyl]methyl]-4-oxo-cyclohexanecarboxamide - CAS 182227-24-3
Catalog: |
BB065045 |
Product Name: |
(S)-N-(4-Fluorophenyl)-1-[hydroxy[4-(phenylmethoxy)phenyl]methyl]-4-oxo-cyclohexanecarboxamide |
CAS: |
182227-24-3 |
Synonyms: |
(S)-N-(4-Fluorophenyl)-1-[hydroxy[4-(phenylmethoxy)phenyl]methyl]-4-oxo-cyclohexanecarboxamide; N-(4-fluorophenyl)-1-[(S)-hydroxy-(4-phenylmethoxyphenyl)methyl]-4-oxocyclohexane-1-carboxamide |
IUPAC Name: | N-(4-fluorophenyl)-1-[(S)-hydroxy-(4-phenylmethoxyphenyl)methyl]-4-oxocyclohexane-1-carboxamide |
Description: | Intermediate in the synthesis of a cholesterol absorption inhibitor. |
Molecular Weight: | 447.5 |
Molecular Formula: | C27H26FNO4 |
Canonical SMILES: | C1CC(CCC1=O)(C(C2=CC=C(C=C2)OCC3=CC=CC=C3)O)C(=O)NC4=CC=C(C=C4)F |
InChI: | InChI=1S/C27H26FNO4/c28-21-8-10-22(11-9-21)29-26(32)27(16-14-23(30)15-17-27)25(31)20-6-12-24(13-7-20)33-18-19-4-2-1-3-5-19/h1-13,25,31H,14-18H2,(H,29,32)/t25-/m0/s1 |
InChI Key: | BEDDNSKYSRIEEJ-VWLOTQADSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Tetrahydrofuran |
References: | Wu, G. & Tormos, W.; J. Org. Chem. 62, 6412 (1997). |
Complexity: | 639 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 447.18458647 |
Formal Charge: | 0 |
Heavy Atom Count: | 33 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 447.18458647 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 75.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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