3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1-methyl-1,2-dihydropyridin-2-one

• ChemBase ID: 500304
• Molecular Formular: C17H16Cl2N2O3
• Molecular Mass: 367.22654
• Monoisotopic Mass: 366.05379774
• SMILES: c1(c(=O)n(ccc1)C)C(=O)N1CC(c2cc(c(cc2)Cl)Cl)OCC1
• Canonical SMILES: O=C(c1cccn(c1=O)C)N1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C17H16Cl2N2O3/c1-20-6-2-3-12(16(20)22)17(23)21-7-8-24-15(10-21)11-4-5-13(18)14(19)9-11/h2-6,9,15H,7-8,10H2,1H3
• InChIKey: WYCLSFFBTDKYJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1-methyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 3-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1-methylpyridin-2-one
• Synonyms: 3-{[2-(3,4-dichlorophenyl)morpholin-4-yl]carbonyl}-1-methylpyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2420194
• LogD (pH = 7.4): 2.2420197
• Log P: 2.2420197
• Molar Refractivity: 93.5988 cm^3
• Polarizability: 35.5947 Å^3
• Polar Surface Area: 49.85 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: 1.45
• LOG S: -3.12
• Polar Surface Area: 51.54 Å^2
• Rotatable Bonds: 2