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

• ChemBase ID: 219004
• Molecular Formular: C25H19NO6
• Molecular Mass: 429.42146
• Monoisotopic Mass: 429.12123733
• SMILES: c12c(c(c(c(=O)o1)CC(=O)Nc1cc3c(oc(=O)cc3)cc1)C)cc1c(c2C)occ1C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)Nc1ccc2c(c1)ccc(=O)o2
• InChI: InChI=1S/C25H19NO6/c1-12-11-30-23-14(3)24-18(9-17(12)23)13(2)19(25(29)32-24)10-21(27)26-16-5-6-20-15(8-16)4-7-22(28)31-20/h4-9,11H,10H2,1-3H3,(H,26,27)
• InChIKey: SXYXXWDLMUVXPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274914
• PubChem CID: 16408932

CALCULATED PROPERTIES

• Acid pKa: 10.944219
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.033012
• LogD (pH = 7.4): 4.0328894
• Log P: 4.0330133
• Molar Refractivity: 119.1455 cm^3
• Polarizability: 45.290604 Å^3
• Polar Surface Area: 94.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds