N-(furan-2-ylmethyl)-8-methoxy-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide

• ChemBase ID: 844102
• Molecular Formular: C22H22N2O4
• Molecular Mass: 378.42108
• Monoisotopic Mass: 378.15795719
• SMILES: C(=O)(C1Cc2c(OC1)c(OC)ccc2)N(Cc1occc1)Cc1ncccc1
• Canonical SMILES: COc1cccc2c1OCC(C2)C(=O)N(Cc1ccco1)Cc1ccccn1
• InChI: InChI=1S/C22H22N2O4/c1-26-20-9-4-6-16-12-17(15-28-21(16)20)22(25)24(14-19-8-5-11-27-19)13-18-7-2-3-10-23-18/h2-11,17H,12-15H2,1H3
• InChIKey: WEEIHWSOWYYJHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-8-methoxy-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-8-methoxy-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• Synonyms: N-(2-furylmethyl)-8-methoxy-N-(2-pyridinylmethyl)-3-chromanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5167437
• LogD (pH = 7.4): 2.5341868
• Log P: 2.5344143
• Molar Refractivity: 103.5335 cm^3
• Polarizability: 40.206024 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.23
• LOG S: -2.56
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 6