2-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxybenzoyl}-1,2-oxazinane

• ChemBase ID: 361302
• Molecular Formular: C21H28N2O5
• Molecular Mass: 388.45742
• Monoisotopic Mass: 388.19982201
• SMILES: c1(C(=O)N2OCCCC2)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)N1CCCCO1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C21H28N2O5/c1-26-17-6-7-19(18(14-17)21(25)23-10-2-3-13-27-23)28-16-8-11-22(12-9-16)20(24)15-4-5-15/h6-7,14-16H,2-5,8-13H2,1H3
• InChIKey: VDNWFBCXZQOVPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxybenzoyl}-1,2-oxazinane
• IUPAC Traditional name: 2-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxybenzoyl}-1,2-oxazinane
• Synonyms: 2-(2-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-5-methoxybenzoyl)-1,2-oxazinane

CALCULATED PROPERTIES

JChem

• Log P: 1.5462928
• Molar Refractivity: 103.8689 cm^3
• Polarizability: 40.057728 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5462925
• LogD (pH = 7.4): 1.5462928

供应商提供(Chembridge)

• Log P: 1.3
• LOG S: -2.77
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 0