6-methoxy-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide

• ChemBase ID: 571893
• Molecular Formular: C22H25NO4
• Molecular Mass: 367.4382
• Monoisotopic Mass: 367.17835829
• SMILES: C1(C(=O)NCc2c(cc3c(c2)CCC3)OC)Cc2c(OC1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)CC(CO2)C(=O)NCc1cc2CCCc2cc1OC
• InChI: InChI=1S/C22H25NO4/c1-25-19-6-7-20-16(10-19)9-18(13-27-20)22(24)23-12-17-8-14-4-3-5-15(14)11-21(17)26-2/h6-8,10-11,18H,3-5,9,12-13H2,1-2H3,(H,23,24)
• InChIKey: GHCKDVMGAJYBJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• IUPAC Traditional name: 6-methoxy-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• Synonyms: 6-methoxy-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-chromanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.142281
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5122333
• LogD (pH = 7.4): 3.5122333
• Log P: 3.5122333
• Molar Refractivity: 103.6568 cm^3
• Polarizability: 39.955112 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.73
• LOG S: -5.06
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 5