6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 221489
• Molecular Formular: C22H15NO4S
• Molecular Mass: 389.4238
• Monoisotopic Mass: 389.07217897
• SMILES: c1(c2nc(sc2)c2ccc(cc2)OC)c(=O)oc2c(c1)cc1c(occ1C)c2
• Canonical SMILES: COc1ccc(cc1)c1scc(n1)c1cc2cc3c(C)coc3cc2oc1=O
• InChI: InChI=1S/C22H15NO4S/c1-12-10-26-20-9-19-14(7-16(12)20)8-17(22(24)27-19)18-11-28-21(23-18)13-3-5-15(25-2)6-4-13/h3-11H,1-2H3
• InChIKey: PLAUKSKEPKSGAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-3-methylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164277399
• PubChem CID: 29147473

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.035734
• LogD (pH = 7.4): 5.035734
• Log P: 5.035734
• Molar Refractivity: 116.2842 cm^3
• Polarizability: 42.066414 Å^3
• Polar Surface Area: 61.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds