{7-[5-(morpholine-4-carbonyl)furan-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine

• ChemBase ID: 490578
• Molecular Formular: C18H20N2O4
• Molecular Mass: 328.3624
• Monoisotopic Mass: 328.14230713
• SMILES: c1(oc(C(=O)N2CCOCC2)cc1)c1c2OC(Cc2ccc1)CN
• Canonical SMILES: NCC1Cc2c(O1)c(ccc2)c1ccc(o1)C(=O)N1CCOCC1
• InChI: InChI=1S/C18H20N2O4/c19-11-13-10-12-2-1-3-14(17(12)23-13)15-4-5-16(24-15)18(21)20-6-8-22-9-7-20/h1-5,13H,6-11,19H2
• InChIKey: VMTQNOZNTWQJAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {7-[5-(morpholine-4-carbonyl)furan-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine
• IUPAC Traditional name: {7-[5-(morpholine-4-carbonyl)furan-2-yl]-2,3-dihydro-1-benzofuran-2-yl}methanamine
• Synonyms: ({7-[5-(morpholin-4-ylcarbonyl)-2-furyl]-2,3-dihydro-1-benzofuran-2-yl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1402795
• LogD (pH = 7.4): -1.0549493
• Log P: 0.8252114
• Molar Refractivity: 88.8017 cm^3
• Polarizability: 35.238697 Å^3
• Polar Surface Area: 77.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.38
• LOG S: -1.92
• Polar Surface Area: 77.93 Å^2
• Rotatable Bonds: 3