N-[(2,4-dihydroxyphenyl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide

• ChemBase ID: 535596
• Molecular Formular: C17H15N3O5
• Molecular Mass: 341.3181
• Monoisotopic Mass: 341.1011706
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCc2c(cc(cc2)O)O)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCc1ccc(cc1O)O
• InChI: InChI=1S/C17H15N3O5/c21-13-6-3-11(14(22)7-13)8-18-16(24)10-1-4-12(5-2-10)20-9-15(23)19-17(20)25/h1-7,21-22H,8-9H2,(H,18,24)(H,19,23,25)
• InChIKey: VVIGXCZBNNDZIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,4-dihydroxyphenyl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[(2,4-dihydroxyphenyl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
• Synonyms: N-(2,4-dihydroxybenzyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.767109
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): 0.62284005
• LogD (pH = 7.4): 0.6047796
• Log P: 0.62307286
• Molar Refractivity: 88.2699 cm^3
• Polarizability: 33.09459 Å^3
• Polar Surface Area: 118.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 4
• Log P: -0.12
• LOG S: -2.32
• Polar Surface Area: 118.97 Å^2
• Rotatable Bonds: 4