6-[2-(3-methoxyphenyl)azetidine-1-carbonyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 832673
• Molecular Formular: C17H19N3O4
• Molecular Mass: 329.35046
• Monoisotopic Mass: 329.1375561
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N1C(CC1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C1CCN1C(=O)c1cc(=O)n(c(=O)n1C)C
• InChI: InChI=1S/C17H19N3O4/c1-18-14(10-15(21)19(2)17(18)23)16(22)20-8-7-13(20)11-5-4-6-12(9-11)24-3/h4-6,9-10,13H,7-8H2,1-3H3
• InChIKey: SLZTWUNNSKEBHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(3-methoxyphenyl)azetidine-1-carbonyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-[2-(3-methoxyphenyl)azetidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
• Synonyms: 6-{[2-(3-methoxyphenyl)-1-azetidinyl]carbonyl}-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3751007
• LogD (pH = 7.4): 0.37510085
• Log P: 0.37510085
• Molar Refractivity: 88.326 cm^3
• Polarizability: 33.23671 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.01
• LOG S: -2.46
• Polar Surface Area: 73.54 Å^2
• Rotatable Bonds: 3