2-(3,4-dichlorophenyl)-4-{furo[3,2-c]pyridin-4-yl}morpholine

• ChemBase ID: 549914
• Molecular Formular: C17H14Cl2N2O2
• Molecular Mass: 349.21126
• Monoisotopic Mass: 348.04323306
• SMILES: c1(c2c(occ2)ccn1)N1CC(c2cc(c(cc2)Cl)Cl)OCC1
• Canonical SMILES: Clc1ccc(cc1Cl)C1OCCN(C1)c1nccc2c1cco2
• InChI: InChI=1S/C17H14Cl2N2O2/c18-13-2-1-11(9-14(13)19)16-10-21(6-8-23-16)17-12-4-7-22-15(12)3-5-20-17/h1-5,7,9,16H,6,8,10H2
• InChIKey: JGRQRGTZWDHPBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-4-{furo[3,2-c]pyridin-4-yl}morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-4-{furo[3,2-c]pyridin-4-yl}morpholine
• Synonyms: 4-[2-(3,4-dichlorophenyl)morpholin-4-yl]furo[3,2-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.1663895
• LogD (pH = 7.4): 4.387255
• Log P: 4.3910275
• Molar Refractivity: 90.4512 cm^3
• Polarizability: 35.640713 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.94
• LOG S: -5.11
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 2