2-(3,4-dichlorophenyl)-4-{imidazo[1,2-a]pyrimidine-2-carbonyl}morpholine

• ChemBase ID: 668647
• Molecular Formular: C17H14Cl2N4O2
• Molecular Mass: 377.22466
• Monoisotopic Mass: 376.04938107
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CC(c2cc(c(cc2)Cl)Cl)OCC1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)N1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C17H14Cl2N4O2/c18-12-3-2-11(8-13(12)19)15-10-22(6-7-25-15)16(24)14-9-23-5-1-4-20-17(23)21-14/h1-5,8-9,15H,6-7,10H2
• InChIKey: TVZRFEHSHWVBSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-4-{imidazo[1,2-a]pyrimidine-2-carbonyl}morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-4-{imidazo[1,2-a]pyrimidine-2-carbonyl}morpholine
• Synonyms: 2-{[2-(3,4-dichlorophenyl)morpholin-4-yl]carbonyl}imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 2.2649548
• LogD (pH = 7.4): 2.2649665
• Log P: 2.2649667
• Molar Refractivity: 96.2563 cm^3
• Polarizability: 36.03121 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0

供应商提供(Chembridge)

• Log P: 1.62
• LOG S: -3.33
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4
• H Donor: 0