2-(4-chlorophenyl)-4-[(6-chloropyridin-2-yl)methyl]morpholine

• ChemBase ID: 314667
• Molecular Formular: C16H16Cl2N2O
• Molecular Mass: 323.21704
• Monoisotopic Mass: 322.0639685
• SMILES: N1(CC(c2ccc(cc2)Cl)OCC1)Cc1nc(Cl)ccc1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)Cc1cccc(n1)Cl
• InChI: InChI=1S/C16H16Cl2N2O/c17-13-6-4-12(5-7-13)15-11-20(8-9-21-15)10-14-2-1-3-16(18)19-14/h1-7,15H,8-11H2
• InChIKey: DGTZJUNCXPRDKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-4-[(6-chloropyridin-2-yl)methyl]morpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)-4-[(6-chloropyridin-2-yl)methyl]morpholine
• Synonyms: 2-(4-chlorophenyl)-4-[(6-chloropyridin-2-yl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6100137
• LogD (pH = 7.4): 3.7699752
• Log P: 3.7724483
• Molar Refractivity: 85.9498 cm^3
• Polarizability: 33.510944 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.95
• LOG S: -3.07
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3