N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)-3-(pyrimidin-2-yloxy)benzamide

• ChemBase ID: 448385
• Molecular Formular: C19H17N3O3
• Molecular Mass: 335.35658
• Monoisotopic Mass: 335.12699142
• SMILES: C(=O)(N(Cc1occc1)CC=C)c1cc(Oc2ncccn2)ccc1
• Canonical SMILES: C=CCN(C(=O)c1cccc(c1)Oc1ncccn1)Cc1ccco1
• InChI: InChI=1S/C19H17N3O3/c1-2-11-22(14-17-8-4-12-24-17)18(23)15-6-3-7-16(13-15)25-19-20-9-5-10-21-19/h2-10,12-13H,1,11,14H2
• InChIKey: ANFWIBIMQAJJOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)-3-(pyrimidin-2-yloxy)benzamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)-3-(pyrimidin-2-yloxy)benzamide
• Synonyms: N-allyl-N-(2-furylmethyl)-3-(pyrimidin-2-yloxy)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0427694
• LogD (pH = 7.4): 3.0427706
• Log P: 3.0427706
• Molar Refractivity: 93.9471 cm^3
• Polarizability: 35.291336 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.39
• LOG S: -3.69
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7