4-(3,5-difluoro-4-methoxybenzoyl)-1-(3-methoxyphenyl)piperazin-2-one

• ChemBase ID: 819989
• Molecular Formular: C19H18F2N2O4
• Molecular Mass: 376.3540264
• Monoisotopic Mass: 376.12346351
• SMILES: N1(C(=O)CN(C(=O)c2cc(c(c(c2)F)OC)F)CC1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)N1CCN(CC1=O)C(=O)c1cc(F)c(c(c1)F)OC
• InChI: InChI=1S/C19H18F2N2O4/c1-26-14-5-3-4-13(10-14)23-7-6-22(11-17(23)24)19(25)12-8-15(20)18(27-2)16(21)9-12/h3-5,8-10H,6-7,11H2,1-2H3
• InChIKey: RJPQXFNLZKRINU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,5-difluoro-4-methoxybenzoyl)-1-(3-methoxyphenyl)piperazin-2-one
• IUPAC Traditional name: 4-(3,5-difluoro-4-methoxybenzoyl)-1-(3-methoxyphenyl)piperazin-2-one
• Synonyms: 4-(3,5-difluoro-4-methoxybenzoyl)-1-(3-methoxyphenyl)-2-piperazinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.286885
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8461258
• LogD (pH = 7.4): 1.8461258
• Log P: 1.846126
• Molar Refractivity: 93.7978 cm^3
• Polarizability: 35.112305 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.2
• LOG S: -3.82
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4