2-methoxy-N-[2-methoxy-5-({[1-(1-methyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)phenyl]acetamide

• ChemBase ID: 830992
• Molecular Formular: C17H23N5O4
• Molecular Mass: 361.39562
• Monoisotopic Mass: 361.17500424
• SMILES: c1(cn(nc1)C)C(NC(=O)Nc1cc(NC(=O)COC)c(cc1)OC)C
• Canonical SMILES: COCC(=O)Nc1cc(ccc1OC)NC(=O)NC(c1cnn(c1)C)C
• InChI: InChI=1S/C17H23N5O4/c1-11(12-8-18-22(2)9-12)19-17(24)20-13-5-6-15(26-4)14(7-13)21-16(23)10-25-3/h5-9,11H,10H2,1-4H3,(H,21,23)(H2,19,20,24)
• InChIKey: AHQJCPRGDKYUHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[2-methoxy-5-({[1-(1-methyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)phenyl]acetamide
• IUPAC Traditional name: 2-methoxy-N-[2-methoxy-5-({[1-(1-methylpyrazol-4-yl)ethyl]carbamoyl}amino)phenyl]acetamide
• Synonyms: 2-methoxy-N-{2-methoxy-5-[({[1-(1-methyl-1H-pyrazol-4-yl)ethyl]amino}carbonyl)amino]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.515433
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.57583547
• LogD (pH = 7.4): 0.5758799
• Log P: 0.5759125
• Molar Refractivity: 110.2088 cm^3
• Polarizability: 36.346584 Å^3
• Polar Surface Area: 106.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 0.06
• LOG S: -3.2
• Polar Surface Area: 106.51 Å^2
• Rotatable Bonds: 7