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

• ChemBase ID: 218758
• Molecular Formular: C19H16N2O4S
• Molecular Mass: 368.40634
• Monoisotopic Mass: 368.083078
• SMILES: c1(c2c3c(c(cc2oc(=O)c1CC(=O)Nc1nccs1)C)c(co3)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C)Nc1nccs1
• InChI: InChI=1S/C19H16N2O4S/c1-9-6-13-16(17-15(9)10(2)8-24-17)11(3)12(18(23)25-13)7-14(22)21-19-20-4-5-26-19/h4-6,8H,7H2,1-3H3,(H,20,21,22)
• InChIKey: ZNERQVLJNBVTDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274668
• PubChem CID: 16408706

CALCULATED PROPERTIES

• Acid pKa: 10.332833
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5659351
• LogD (pH = 7.4): 3.5654461
• Log P: 3.5659425
• Molar Refractivity: 98.3366 cm^3
• Polarizability: 37.725716 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