4-[2-(2,3,4-trimethoxyphenyl)pyridine-4-carbonyl]morpholine

• ChemBase ID: 513010
• Molecular Formular: C19H22N2O5
• Molecular Mass: 358.38838
• Monoisotopic Mass: 358.15287181
• SMILES: c1(c(c(c(cc1)OC)OC)OC)c1cc(C(=O)N2CCOCC2)ccn1
• Canonical SMILES: COc1c(ccc(c1OC)OC)c1nccc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C19H22N2O5/c1-23-16-5-4-14(17(24-2)18(16)25-3)15-12-13(6-7-20-15)19(22)21-8-10-26-11-9-21/h4-7,12H,8-11H2,1-3H3
• InChIKey: PWKUVPAKTDCBIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2,3,4-trimethoxyphenyl)pyridine-4-carbonyl]morpholine
• IUPAC Traditional name: 4-[2-(2,3,4-trimethoxyphenyl)pyridine-4-carbonyl]morpholine
• Synonyms: 4-[2-(2,3,4-trimethoxyphenyl)isonicotinoyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.3949877
• LogD (pH = 7.4): 1.3951255
• Log P: 1.3951273
• Molar Refractivity: 96.0012 cm^3
• Polarizability: 38.10652 Å^3
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.53
• LOG S: -2.67
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 5