N-(2,5-dimethoxyphenyl)-2-{5-methoxy-4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-3-yl}acetamide

• ChemBase ID: 220120
• Molecular Formular: C26H29NO7
• Molecular Mass: 467.51096
• Monoisotopic Mass: 467.19440227
• SMILES: c1(c2c(oc(=O)c1CC(=O)Nc1cc(ccc1OC)OC)c1c(OC(CC1)(C)C)cc2OC)C
• Canonical SMILES: COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)Nc1cc(OC)ccc1OC)c(=O)o2
• InChI: InChI=1S/C26H29NO7/c1-14-17(12-22(28)27-18-11-15(30-4)7-8-19(18)31-5)25(29)33-24-16-9-10-26(2,3)34-20(16)13-21(32-6)23(14)24/h7-8,11,13H,9-10,12H2,1-6H3,(H,27,28)
• InChIKey: QGBRVGCOFOOKKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dimethoxyphenyl)-2-{5-methoxy-4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-3-yl}acetamide
• IUPAC Traditional name: N-(2,5-dimethoxyphenyl)-2-{5-methoxy-4,8,8-trimethyl-2-oxo-9H,10H-pyrano[2,3-h]chromen-3-yl}acetamide

Database IDs

• PubChem SID: 164276030
• PubChem CID: 17571968

CALCULATED PROPERTIES

• Acid pKa: 10.807841
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.587855
• LogD (pH = 7.4): 3.587688
• Log P: 3.5878572
• Molar Refractivity: 127.5518 cm^3
• Polarizability: 48.678307 Å^3
• Polar Surface Area: 92.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds