(4S)-3-{2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl}-4-(propan-2-yl)-1,3-oxazolidin-2-one

• ChemBase ID: 550375
• Molecular Formular: C18H24N2O5
• Molecular Mass: 348.39356
• Monoisotopic Mass: 348.16852188
• SMILES: N1(C(=O)OC[C@@H]1C(C)C)CC(=O)N1CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)C(=O)CN1C(=O)OC[C@@H]1C(C)C
• InChI: InChI=1S/C18H24N2O5/c1-12(2)14-11-24-18(22)20(14)10-17(21)19-8-13(9-19)25-16-7-5-4-6-15(16)23-3/h4-7,12-14H,8-11H2,1-3H3/t14-/m1/s1
• InChIKey: WOEPXQDUUPXATC-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-3-{2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl}-4-(propan-2-yl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4S)-4-isopropyl-3-{2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl}-1,3-oxazolidin-2-one
• Synonyms: (4S)-4-isopropyl-3-{2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.323332
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6619135
• LogD (pH = 7.4): 1.6619135
• Log P: 1.6619135
• Molar Refractivity: 89.7451 cm^3
• Polarizability: 35.490646 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.91
• LOG S: -3.37
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 6