N-[2-(oxolan-2-ylmethoxy)phenyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide

• ChemBase ID: 680610
• Molecular Formular: C19H22N2O3S
• Molecular Mass: 358.45458
• Monoisotopic Mass: 358.13511357
• SMILES: C(=O)(N1Cc2c(scc2)CC1)Nc1c(OCC2OCCC2)cccc1
• Canonical SMILES: O=C(N1CCc2c(C1)ccs2)Nc1ccccc1OCC1CCCO1
• InChI: InChI=1S/C19H22N2O3S/c22-19(21-9-7-18-14(12-21)8-11-25-18)20-16-5-1-2-6-17(16)24-13-15-4-3-10-23-15/h1-2,5-6,8,11,15H,3-4,7,9-10,12-13H2,(H,20,22)
• InChIKey: OOVVCRHEGHNRHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(oxolan-2-ylmethoxy)phenyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide
• IUPAC Traditional name: N-[2-(oxolan-2-ylmethoxy)phenyl]-4H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide
• Synonyms: N-[2-(tetrahydrofuran-2-ylmethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.850519
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2629232
• LogD (pH = 7.4): 3.262909
• Log P: 3.2629235
• Molar Refractivity: 99.0315 cm^3
• Polarizability: 37.406876 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.2
• LOG S: -3.69
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 4