N,N-dimethyl-4-oxo-2-phenyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-sulfonamide

• ChemBase ID: 539067
• Molecular Formular: C15H18N4O3S
• Molecular Mass: 334.39342
• Monoisotopic Mass: 334.10996146
• SMILES: S(=O)(=O)(N1Cc2c(c(=O)[nH]c(n2)c2ccccc2)CC1)N(C)C
• Canonical SMILES: O=c1[nH]c(nc2c1CCN(C2)S(=O)(=O)N(C)C)c1ccccc1
• InChI: InChI=1S/C15H18N4O3S/c1-18(2)23(21,22)19-9-8-12-13(10-19)16-14(17-15(12)20)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,17,20)
• InChIKey: YNASUZBDQDBCEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-oxo-2-phenyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-4-oxo-2-phenyl-3H,5H,6H,8H-pyrido[3,4-d]pyrimidine-7-sulfonamide
• Synonyms: N,N-dimethyl-4-oxo-2-phenyl-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.005578
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.15587507
• LogD (pH = 7.4): -0.16516376
• Log P: -0.15575175
• Molar Refractivity: 88.1756 cm^3
• Polarizability: 33.999847 Å^3
• Polar Surface Area: 82.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.28
• LOG S: -3.19
• Polar Surface Area: 86.37 Å^2
• Rotatable Bonds: 1