4-(2,4-dioxoimidazolidin-1-yl)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]benzamide

• ChemBase ID: 520475
• Molecular Formular: C19H16N4O4
• Molecular Mass: 364.35474
• Monoisotopic Mass: 364.11715501
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCc2nc3c(o2)cccc3C)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCc1oc2c(n1)c(C)ccc2
• InChI: InChI=1S/C19H16N4O4/c1-11-3-2-4-14-17(11)22-16(27-14)9-20-18(25)12-5-7-13(8-6-12)23-10-15(24)21-19(23)26/h2-8H,9-10H2,1H3,(H,20,25)(H,21,24,26)
• InChIKey: PADGLWWRLBAJPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064494
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1632931
• LogD (pH = 7.4): 1.154215
• Log P: 1.1634109
• Molar Refractivity: 95.3414 cm^3
• Polarizability: 37.082127 Å^3
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.45
• LOG S: -3.1
• Polar Surface Area: 104.54 Å^2
• Rotatable Bonds: 4