2-(3,4-dichlorophenyl)-4-(2-methylbenzoyl)morpholine

• ChemBase ID: 594885
• Molecular Formular: C18H17Cl2NO2
• Molecular Mass: 350.23908
• Monoisotopic Mass: 349.06363415
• SMILES: C(=O)(N1CC(c2cc(c(cc2)Cl)Cl)OCC1)c1c(C)cccc1
• Canonical SMILES: Cc1ccccc1C(=O)N1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C18H17Cl2NO2/c1-12-4-2-3-5-14(12)18(22)21-8-9-23-17(11-21)13-6-7-15(19)16(20)10-13/h2-7,10,17H,8-9,11H2,1H3
• InChIKey: VZUAQDJGTXFRMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-4-(2-methylbenzoyl)morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-4-(2-methylbenzoyl)morpholine
• Synonyms: 2-(3,4-dichlorophenyl)-4-(2-methylbenzoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.558489
• LogD (pH = 7.4): 4.558489
• Log P: 4.558489
• Molar Refractivity: 92.9379 cm^3
• Polarizability: 35.62573 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.47
• LOG S: -4.72
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2