N-(4-methyl-1,3-thiazol-2-yl)-2-{5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 217813
• Molecular Formular: C24H18N2O4S
• Molecular Mass: 430.47572
• Monoisotopic Mass: 430.09872807
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CC(=O)Nc1nc(cs1)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)Nc1scc(n1)C
• InChI: InChI=1S/C24H18N2O4S/c1-13-12-31-24(25-13)26-22(27)9-17-14(2)16-8-18-19(15-6-4-3-5-7-15)11-29-20(18)10-21(16)30-23(17)28/h3-8,10-12H,9H2,1-2H3,(H,25,26,27)
• InChIKey: DBXHMMSJCKNYOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methyl-1,3-thiazol-2-yl)-2-{5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-(4-methyl-1,3-thiazol-2-yl)-2-{5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164273723
• PubChem CID: 16407808

CALCULATED PROPERTIES

• Acid pKa: 10.382849
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.317689
• LogD (pH = 7.4): 4.317254
• Log P: 4.317695
• Molar Refractivity: 117.9819 cm^3
• Polarizability: 46.88033 Å^3
• Polar Surface Area: 81.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds