6-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 587190
• Molecular Formular: C17H18ClN3O4
• Molecular Mass: 363.79552
• Monoisotopic Mass: 363.09858375
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N1CC(c2ccc(cc2)Cl)OCC1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)C(=O)c1cc(=O)n(c(=O)n1C)C
• InChI: InChI=1S/C17H18ClN3O4/c1-19-13(9-15(22)20(2)17(19)24)16(23)21-7-8-25-14(10-21)11-3-5-12(18)6-4-11/h3-6,9,14H,7-8,10H2,1-2H3
• InChIKey: GRLGAMMBHOXFPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.61
• LOG S: -3.23
• Polar Surface Area: 73.54 Å^2
• Rotatable Bonds: 2

JChem

• H Donor: 0
• LogD (pH = 5.5): 1.0298814
• LogD (pH = 7.4): 1.0298816
• Log P: 1.0298816
• Molar Refractivity: 92.8457 cm^3
• Polarizability: 35.171467 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4