2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}-N-(1,3-thiazol-2-yl)acetamide

• ChemBase ID: 218967
• Molecular Formular: C20H18N2O4S
• Molecular Mass: 382.43292
• Monoisotopic Mass: 382.09872807
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)Nc1nccs1)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)Nc1nccs1
• InChI: InChI=1S/C20H18N2O4S/c1-9-7-14-17(18-16(9)10(2)12(4)25-18)11(3)13(19(24)26-14)8-15(23)22-20-21-5-6-27-20/h5-7H,8H2,1-4H3,(H,21,22,23)
• InChIKey: SLQUHAQCUZKGGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}-N-(1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-{2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl}-N-(1,3-thiazol-2-yl)acetamide

Database IDs

• PubChem SID: 164274877
• PubChem CID: 16408901

CALCULATED PROPERTIES

• Acid pKa: 10.332942
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7654965
• LogD (pH = 7.4): 3.7650077
• Log P: 3.765504
• Molar Refractivity: 103.4863 cm^3
• Polarizability: 39.485355 Å^3
• Polar Surface Area: 81.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds