N-[2-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxolane-2-carboxamide

• ChemBase ID: 513481
• Molecular Formular: C23H24N2O3
• Molecular Mass: 376.44826
• Monoisotopic Mass: 376.17869264
• SMILES: c1(oc2c(c1)cccc2)CN1Cc2c(CC1)ccc(NC(=O)C1OCCC1)c2
• Canonical SMILES: O=C(C1CCCO1)Nc1ccc2c(c1)CN(CC2)Cc1cc2c(o1)cccc2
• InChI: InChI=1S/C23H24N2O3/c26-23(22-6-3-11-27-22)24-19-8-7-16-9-10-25(14-18(16)12-19)15-20-13-17-4-1-2-5-21(17)28-20/h1-2,4-5,7-8,12-13,22H,3,6,9-11,14-15H2,(H,24,26)
• InChIKey: IZSROZDNRGOEBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxolane-2-carboxamide
• IUPAC Traditional name: N-[2-(1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
• Synonyms: N-[2-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]tetrahydro-2-furancarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.007907
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1153176
• LogD (pH = 7.4): 2.856522
• Log P: 3.4394712
• Molar Refractivity: 109.8442 cm^3
• Polarizability: 42.754505 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.85
• LOG S: -4.08
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 4