N-(3,4-dimethoxyphenyl)-2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamide

• ChemBase ID: 195594
• Molecular Formular: C23H23NO6
• Molecular Mass: 409.43182
• Monoisotopic Mass: 409.15253746
• SMILES: c12c3c(oc(=O)c1CCC2)cc(cc3OCC(=O)Nc1cc(c(cc1)OC)OC)C
• Canonical SMILES: COc1ccc(cc1OC)NC(=O)COc1cc(C)cc2c1c1CCCc1c(=O)o2
• InChI: InChI=1S/C23H23NO6/c1-13-9-19(22-15-5-4-6-16(15)23(26)30-20(22)10-13)29-12-21(25)24-14-7-8-17(27-2)18(11-14)28-3/h7-11H,4-6,12H2,1-3H3,(H,24,25)
• InChIKey: CTGNHRLJPCHNEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethoxyphenyl)-2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamide
• IUPAC Traditional name: N-(3,4-dimethoxyphenyl)-2-({7-methyl-4-oxo-1H,2H,3H-cyclopenta[c]chromen-9-yl}oxy)acetamide

Database IDs

• PubChem SID: 164251504
• PubChem CID: 1798974

CALCULATED PROPERTIES

• Acid pKa: 12.609541
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.4118402
• LogD (pH = 7.4): 3.4118376
• Log P: 3.4118402
• Molar Refractivity: 111.7792 cm^3
• Polarizability: 42.470707 Å^3
• Polar Surface Area: 83.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds