4-(4-chloro-2-methoxybenzoyl)-2-(4-chlorophenyl)morpholine

• ChemBase ID: 468861
• Molecular Formular: C18H17Cl2NO3
• Molecular Mass: 366.23848
• Monoisotopic Mass: 365.05854877
• SMILES: C(=O)(c1c(cc(cc1)Cl)OC)N1CC(c2ccc(cc2)Cl)OCC1
• Canonical SMILES: COc1cc(Cl)ccc1C(=O)N1CCOC(C1)c1ccc(cc1)Cl
• InChI: InChI=1S/C18H17Cl2NO3/c1-23-16-10-14(20)6-7-15(16)18(22)21-8-9-24-17(11-21)12-2-4-13(19)5-3-12/h2-7,10,17H,8-9,11H2,1H3
• InChIKey: KRSDNIXMRQRPHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chloro-2-methoxybenzoyl)-2-(4-chlorophenyl)morpholine
• IUPAC Traditional name: 4-(4-chloro-2-methoxybenzoyl)-2-(4-chlorophenyl)morpholine
• Synonyms: 4-(4-chloro-2-methoxybenzoyl)-2-(4-chlorophenyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.887396
• LogD (pH = 7.4): 3.887396
• Log P: 3.887396
• Molar Refractivity: 94.3599 cm^3
• Polarizability: 36.38189 Å^3
• Polar Surface Area: 38.77 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: 3.82
• LOG S: -5.13
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3