N-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 740665
• Molecular Formular: C16H20N2O5
• Molecular Mass: 320.3404
• Monoisotopic Mass: 320.13722175
• SMILES: C1(=O)N(CC(=O)NCC2Cc3c(OC2)cc(cc3)OC)CCO1
• Canonical SMILES: COc1ccc2c(c1)OCC(C2)CNC(=O)CN1CCOC1=O
• InChI: InChI=1S/C16H20N2O5/c1-21-13-3-2-12-6-11(10-23-14(12)7-13)8-17-15(19)9-18-4-5-22-16(18)20/h2-3,7,11H,4-6,8-10H2,1H3,(H,17,19)
• InChIKey: GXPDXGABTQKIOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC Traditional name: N-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• Synonyms: N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.9767
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3903352
• LogD (pH = 7.4): 0.3903352
• Log P: 0.39033523
• Molar Refractivity: 81.6526 cm^3
• Polarizability: 31.826254 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.8
• LOG S: -2.22
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 5