N,N-dimethyl-5-[(1-oxo-1,2-dihydrophthalazin-2-yl)methyl]furan-2-carboxamide

• ChemBase ID: 572357
• Molecular Formular: C16H15N3O3
• Molecular Mass: 297.3086
• Monoisotopic Mass: 297.11134136
• SMILES: n1(c(=O)c2c(cn1)cccc2)Cc1oc(C(=O)N(C)C)cc1
• Canonical SMILES: CN(C(=O)c1ccc(o1)Cn1ncc2c(c1=O)cccc2)C
• InChI: InChI=1S/C16H15N3O3/c1-18(2)16(21)14-8-7-12(22-14)10-19-15(20)13-6-4-3-5-11(13)9-17-19/h3-9H,10H2,1-2H3
• InChIKey: BVOQHWJUPOOVQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-[(1-oxo-1,2-dihydrophthalazin-2-yl)methyl]furan-2-carboxamide
• IUPAC Traditional name: N,N-dimethyl-5-[(1-oxophthalazin-2-yl)methyl]furan-2-carboxamide
• Synonyms: N,N-dimethyl-5-[(1-oxophthalazin-2(1H)-yl)methyl]-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2162783
• LogD (pH = 7.4): 1.2162783
• Log P: 1.2162783
• Molar Refractivity: 82.827 cm^3
• Polarizability: 29.849894 Å^3
• Polar Surface Area: 66.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.57
• LOG S: -1.85
• Polar Surface Area: 68.34 Å^2
• Rotatable Bonds: 3