2-(2,5-dioxoimidazolidin-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]acetamide

• ChemBase ID: 847996
• Molecular Formular: C16H19N3O5
• Molecular Mass: 333.33916
• Monoisotopic Mass: 333.13247072
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCC1Cc2c(OC1)c(OC)ccc2
• Canonical SMILES: COc1cccc2c1OCC(C2)CNC(=O)CN1C(=O)CNC1=O
• InChI: InChI=1S/C16H19N3O5/c1-23-12-4-2-3-11-5-10(9-24-15(11)12)6-17-13(20)8-19-14(21)7-18-16(19)22/h2-4,10H,5-9H2,1H3,(H,17,20)(H,18,22)
• InChIKey: YLBIPLBXERFTNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.807462
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.7010394
• LogD (pH = 7.4): -0.701056
• Log P: -0.7010392
• Molar Refractivity: 83.6815 cm^3
• Polarizability: 32.37881 Å^3
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.25
• LOG S: -2.73
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 5