N-(3,4,5-trimethoxyphenyl)-3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide

• ChemBase ID: 218117
• Molecular Formular: C26H27NO7
• Molecular Mass: 465.49508
• Monoisotopic Mass: 465.17875221
• SMILES: c12c(c(c(c(=O)o1)CCC(=O)Nc1cc(c(c(c1)OC)OC)OC)C)cc1c(c2C)occ1C
• Canonical SMILES: COc1cc(NC(=O)CCc2c(=O)oc3c(c2C)cc2c(c3C)occ2C)cc(c1OC)OC
• InChI: InChI=1S/C26H27NO7/c1-13-12-33-23-15(3)24-19(11-18(13)23)14(2)17(26(29)34-24)7-8-22(28)27-16-9-20(30-4)25(32-6)21(10-16)31-5/h9-12H,7-8H2,1-6H3,(H,27,28)
• InChIKey: WQMJPMGEBXAYDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4,5-trimethoxyphenyl)-3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide
• IUPAC Traditional name: N-(3,4,5-trimethoxyphenyl)-3-{3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl}propanamide

Database IDs

• PubChem SID: 164274027
• PubChem CID: 16408095

CALCULATED PROPERTIES

• Acid pKa: 13.884114
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.1944547
• LogD (pH = 7.4): 4.194454
• Log P: 4.1944547
• Molar Refractivity: 127.6455 cm^3
• Polarizability: 49.325287 Å^3
• Polar Surface Area: 96.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds