(4S)-3-{2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl}-4-phenyl-1,3-oxazolidin-2-one

• ChemBase ID: 861985
• Molecular Formular: C20H25N3O4
• Molecular Mass: 371.4302
• Monoisotopic Mass: 371.1845063
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)CC(=O)N1CCC(N2C(=O)CCC2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)N1CCCC1=O)CN1C(=O)OC[C@@H]1c1ccccc1
• InChI: InChI=1S/C20H25N3O4/c24-18-7-4-10-22(18)16-8-11-21(12-9-16)19(25)13-23-17(14-27-20(23)26)15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2/t17-/m1/s1
• InChIKey: FJGSDBWZEXROAJ-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-3-{2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl}-4-phenyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4S)-3-{2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl}-4-phenyl-1,3-oxazolidin-2-one
• Synonyms: (4S)-3-{2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl}-4-phenyl-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.361673
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.24816628
• LogD (pH = 7.4): 0.24816644
• Log P: 0.24816644
• Molar Refractivity: 98.5145 cm^3
• Polarizability: 38.281433 Å^3
• Polar Surface Area: 70.16 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: 1.12
• LOG S: -2.87
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 4