N-[(2R,4R,6S)-2-cyclohexyl-6-(pyridin-4-yl)oxan-4-yl]benzamide

• ChemBase ID: 547771
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: O1[C@@H](C[C@H](NC(=O)c2ccccc2)C[C@@H]1C1CCCCC1)c1ccncc1
• Canonical SMILES: O=C(c1ccccc1)N[C@@H]1C[C@@H](O[C@@H](C1)c1ccncc1)C1CCCCC1
• InChI: InChI=1S/C23H28N2O2/c26-23(19-9-5-2-6-10-19)25-20-15-21(17-7-3-1-4-8-17)27-22(16-20)18-11-13-24-14-12-18/h2,5-6,9-14,17,20-22H,1,3-4,7-8,15-16H2,(H,25,26)/t20-,21-,22+/m1/s1
• InChIKey: CJNURFFEMHDGMR-VSKRKVRLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,4R,6S)-2-cyclohexyl-6-(pyridin-4-yl)oxan-4-yl]benzamide
• IUPAC Traditional name: N-[(2R,4R,6S)-2-cyclohexyl-6-(pyridin-4-yl)oxan-4-yl]benzamide
• Synonyms: N-[(2R*,4R*,6S*)-2-cyclohexyl-6-pyridin-4-yltetrahydro-2H-pyran-4-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.095431
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.64638
• LogD (pH = 7.4): 3.7478597
• Log P: 3.7493663
• Molar Refractivity: 106.0497 cm^3
• Polarizability: 41.344856 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.1
• LOG S: -3.21
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4