2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine

• ChemBase ID: 593452
• Molecular Formular: C15H15Cl2N3O2
• Molecular Mass: 340.2045
• Monoisotopic Mass: 339.0541321
• SMILES: c1(N2CC(c3cc(c(cc3)Cl)Cl)OCC2)cc(ncn1)OC
• Canonical SMILES: COc1ncnc(c1)N1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C15H15Cl2N3O2/c1-21-15-7-14(18-9-19-15)20-4-5-22-13(8-20)10-2-3-11(16)12(17)6-10/h2-3,6-7,9,13H,4-5,8H2,1H3
• InChIKey: MMSRWRRDNQSCDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
• Synonyms: 2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.899342
• LogD (pH = 7.4): 3.9619906
• Log P: 3.9628522
• Molar Refractivity: 87.208 cm^3
• Polarizability: 32.95236 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.47
• LOG S: -4.64
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 3