5-methoxy-3-(4-methoxyphenyl)-10-(thiophen-3-yl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione

• ChemBase ID: 228104
• Molecular Formular: C24H18O6S
• Molecular Mass: 434.46112
• Monoisotopic Mass: 434.0824093
• SMILES: c12c(c3c(OC(=O)CC3c3cscc3)cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1cscc1
• InChI: InChI=1S/C24H18O6S/c1-27-15-5-3-13(4-6-15)17-11-29-24-21-16(14-7-8-31-12-14)9-20(25)30-19(21)10-18(28-2)22(24)23(17)26/h3-8,10-12,16H,9H2,1-2H3
• InChIKey: MQZJLPUHVZXFGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-3-(4-methoxyphenyl)-10-(thiophen-3-yl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione
• IUPAC Traditional name: 5-methoxy-3-(4-methoxyphenyl)-10-(thiophen-3-yl)-9H,10H-pyrano[2,3-h]chromene-4,8-dione

Database IDs

• PubChem SID: 164284014
• PubChem CID: 71755221

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.1364145
• LogD (pH = 7.4): 4.1364145
• Log P: 4.1364145
• Molar Refractivity: 114.8133 cm^3
• Polarizability: 44.116306 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds