2-(2,5-dimethoxybenzoyl)-5-methoxy-1-benzofuran-3-amine

• ChemBase ID: 192315
• Molecular Formular: C18H17NO5
• Molecular Mass: 327.33128
• Monoisotopic Mass: 327.11067265
• SMILES: c1(c(c2c(o1)ccc(c2)OC)N)C(=O)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)c1oc2c(c1N)cc(cc2)OC)OC
• InChI: InChI=1S/C18H17NO5/c1-21-10-5-7-15-12(8-10)16(19)18(24-15)17(20)13-9-11(22-2)4-6-14(13)23-3/h4-9H,19H2,1-3H3
• InChIKey: GADXHHQKNYWDEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethoxybenzoyl)-5-methoxy-1-benzofuran-3-amine
• IUPAC Traditional name: 2-(2,5-dimethoxybenzoyl)-5-methoxy-1-benzofuran-3-amine

Database IDs

• PubChem SID: 164248225
• PubChem CID: 906154

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.8597836
• LogD (pH = 7.4): 2.8597836
• Log P: 2.8597836
• Molar Refractivity: 89.4421 cm^3
• Polarizability: 35.049934 Å^3
• Polar Surface Area: 83.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds