N-(5-chloro-2-methoxyphenyl)-3-{1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl}propanamide

• ChemBase ID: 502713
• Molecular Formular: C20H26ClN3O5
• Molecular Mass: 423.89054
• Monoisotopic Mass: 423.15609863
• SMILES: C1(=O)N(CC(=O)N2CC(CCC(=O)Nc3cc(ccc3OC)Cl)CCC2)CCO1
• Canonical SMILES: COc1ccc(cc1NC(=O)CCC1CCCN(C1)C(=O)CN1CCOC1=O)Cl
• InChI: InChI=1S/C20H26ClN3O5/c1-28-17-6-5-15(21)11-16(17)22-18(25)7-4-14-3-2-8-23(12-14)19(26)13-24-9-10-29-20(24)27/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,22,25)
• InChIKey: FISVYJLNBYLLLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-chloro-2-methoxyphenyl)-3-{1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl}propanamide
• IUPAC Traditional name: N-(5-chloro-2-methoxyphenyl)-3-{1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl}propanamide
• Synonyms: N-(5-chloro-2-methoxyphenyl)-3-{1-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-3-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.302461
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6481326
• LogD (pH = 7.4): 1.6481274
• Log P: 1.6481327
• Molar Refractivity: 108.6404 cm^3
• Polarizability: 41.617676 Å^3
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.87
• LOG S: -3.95
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 6