6-(3-chlorophenyl)-N-(2-methoxyethyl)-N,7-dimethyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 634081
• Molecular Formular: C18H19ClN4O3
• Molecular Mass: 374.82146
• Monoisotopic Mass: 374.11456817
• SMILES: c1(nc2n(cc(n(c2=O)C)c2cc(Cl)ccc2)c1)C(=O)N(CCOC)C
• Canonical SMILES: COCCN(C(=O)c1cn2c(n1)c(=O)n(c(c2)c1cccc(c1)Cl)C)C
• InChI: InChI=1S/C18H19ClN4O3/c1-21(7-8-26-3)17(24)14-10-23-11-15(12-5-4-6-13(19)9-12)22(2)18(25)16(23)20-14/h4-6,9-11H,7-8H2,1-3H3
• InChIKey: OZWDZEZDFKKDLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-chlorophenyl)-N-(2-methoxyethyl)-N,7-dimethyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-(3-chlorophenyl)-N-(2-methoxyethyl)-N,7-dimethyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 6-(3-chlorophenyl)-N-(2-methoxyethyl)-N,7-dimethyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4795455
• LogD (pH = 7.4): 1.4795455
• Log P: 1.4795455
• Molar Refractivity: 99.6983 cm^3
• Polarizability: 37.11063 Å^3
• Polar Surface Area: 67.67 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: 0.8
• LOG S: -2.62
• Polar Surface Area: 68.84 Å^2
• Rotatable Bonds: 5