4-{6-[5-chloro-2-(propan-2-yloxy)phenyl]pyridine-3-carbonyl}morpholine

• ChemBase ID: 860089
• Molecular Formular: C19H21ClN2O3
• Molecular Mass: 360.83464
• Monoisotopic Mass: 360.12407022
• SMILES: C(=O)(c1cnc(c2c(OC(C)C)ccc(c2)Cl)cc1)N1CCOCC1
• Canonical SMILES: CC(Oc1ccc(cc1c1ccc(cn1)C(=O)N1CCOCC1)Cl)C
• InChI: InChI=1S/C19H21ClN2O3/c1-13(2)25-18-6-4-15(20)11-16(18)17-5-3-14(12-21-17)19(23)22-7-9-24-10-8-22/h3-6,11-13H,7-10H2,1-2H3
• InChIKey: VUDZHYKBPDGDTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{6-[5-chloro-2-(propan-2-yloxy)phenyl]pyridine-3-carbonyl}morpholine
• IUPAC Traditional name: 4-[6-(5-chloro-2-isopropoxyphenyl)pyridine-3-carbonyl]morpholine
• Synonyms: 4-{[6-(5-chloro-2-isopropoxyphenyl)pyridin-3-yl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0876942
• LogD (pH = 7.4): 3.087895
• Log P: 3.0878975
• Molar Refractivity: 97.047 cm^3
• Polarizability: 38.604767 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.72
• LOG S: -3.3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4