5-{2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione

• ChemBase ID: 686712
• Molecular Formular: C14H14ClN3O4
• Molecular Mass: 323.73166
• Monoisotopic Mass: 323.06728362
• SMILES: N1C(=O)NC(C1=O)CC(=O)N1CC(C1)Oc1c(Cl)cccc1
• Canonical SMILES: O=C1NC(=O)C(N1)CC(=O)N1CC(C1)Oc1ccccc1Cl
• InChI: InChI=1S/C14H14ClN3O4/c15-9-3-1-2-4-11(9)22-8-6-18(7-8)12(19)5-10-13(20)17-14(21)16-10/h1-4,8,10H,5-7H2,(H2,16,17,20,21)
• InChIKey: YEXYOQWULQZACY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione
• IUPAC Traditional name: 5-{2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione
• Synonyms: 5-{2-[3-(2-chlorophenoxy)-1-azetidinyl]-2-oxoethyl}-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.606079
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.25344416
• LogD (pH = 7.4): 0.25081486
• Log P: 0.25347778
• Molar Refractivity: 76.2492 cm^3
• Polarizability: 29.961992 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.02
• LOG S: -2.89
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4