{7-fluoro-5-[5-(piperidine-1-carbonyl)furan-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine

• ChemBase ID: 708853
• Molecular Formular: C19H21FN2O3
• Molecular Mass: 344.3800432
• Monoisotopic Mass: 344.15362076
• SMILES: c1(oc(c2cc3c(OC(C3)CN)c(c2)F)cc1)C(=O)N1CCCCC1
• Canonical SMILES: NCC1Cc2c(O1)c(F)cc(c2)c1ccc(o1)C(=O)N1CCCCC1
• InChI: InChI=1S/C19H21FN2O3/c20-15-10-12(8-13-9-14(11-21)24-18(13)15)16-4-5-17(25-16)19(23)22-6-2-1-3-7-22/h4-5,8,10,14H,1-3,6-7,9,11,21H2
• InChIKey: BZOFZKIQGULSGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {7-fluoro-5-[5-(piperidine-1-carbonyl)furan-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine
• IUPAC Traditional name: {7-fluoro-5-[5-(piperidine-1-carbonyl)furan-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine
• Synonyms: ({7-fluoro-5-[5-(piperidin-1-ylcarbonyl)-2-furyl]-2,3-dihydro-1-benzofuran-2-yl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.92870265
• LogD (pH = 7.4): 0.15667196
• Log P: 2.0367799
• Molar Refractivity: 92.0856 cm^3
• Polarizability: 36.04655 Å^3
• Polar Surface Area: 68.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.05
• LOG S: -3.46
• Polar Surface Area: 68.7 Å^2
• Rotatable Bonds: 3