N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

• ChemBase ID: 861466
• Molecular Formular: C23H26N2O3
• Molecular Mass: 378.46414
• Monoisotopic Mass: 378.1943427
• SMILES: [C@H]1(NC(=O)c2cc3c(OCC3)cc2)[C@@H](C2(c3c1cccc3)CCNCC2)OC
• Canonical SMILES: CO[C@H]1[C@H](NC(=O)c2ccc3c(c2)CCO3)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C23H26N2O3/c1-27-21-20(25-22(26)16-6-7-19-15(14-16)8-13-28-19)17-4-2-3-5-18(17)23(21)9-11-24-12-10-23/h2-7,14,20-21,24H,8-13H2,1H3,(H,25,26)/t20-,21+/m1/s1
• InChIKey: FOJAGLHEZGSOHU-RTWAWAEBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
• IUPAC Traditional name: N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
• Synonyms: N-[(2R*,3R*)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.01259
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8494292
• LogD (pH = 7.4): -0.14938228
• Log P: 2.369729
• Molar Refractivity: 108.2119 cm^3
• Polarizability: 41.790703 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.7
• LOG S: -4.26
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 3