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

• ChemBase ID: 495293
• Molecular Formular: C18H23N3O4
• Molecular Mass: 345.39292
• Monoisotopic Mass: 345.16885623
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N1CC(C1)OCc1c(C)cccc1)C)C
• Canonical SMILES: O=C(N1CC(C1)OCc1ccccc1C)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C18H23N3O4/c1-12-6-4-5-7-13(12)11-25-14-9-21(10-14)16(22)8-15-17(23)20(3)18(24)19(15)2/h4-7,14-15H,8-11H2,1-3H3
• InChIKey: CHGZIQNZTALTSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.176404
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.64365464
• LogD (pH = 7.4): 0.6436546
• Log P: 0.64365464
• Molar Refractivity: 91.3829 cm^3
• Polarizability: 35.257126 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.21
• LOG S: -3.21
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 5