(2Z)-2-(1,3-benzoxazol-2-yl)-1,3-bis(4-methoxyphenyl)prop-2-en-1-one

• ChemBase ID: 192040
• Molecular Formular: C24H19NO4
• Molecular Mass: 385.41196
• Monoisotopic Mass: 385.13140809
• SMILES: c1(/C(=C/c2ccc(cc2)OC)/C(=O)c2ccc(cc2)OC)nc2c(o1)cccc2
• Canonical SMILES: COc1ccc(cc1)/C=C(\C(=O)c1ccc(cc1)OC)/c1oc2c(n1)cccc2
• InChI: InChI=1S/C24H19NO4/c1-27-18-11-7-16(8-12-18)15-20(23(26)17-9-13-19(28-2)14-10-17)24-25-21-5-3-4-6-22(21)29-24/h3-15H,1-2H3/b20-15+
• InChIKey: VLRNRDXNRYGGRY-HMMYKYKNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-(1,3-benzoxazol-2-yl)-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
• IUPAC Traditional name: (2Z)-2-(1,3-benzoxazol-2-yl)-1,3-bis(4-methoxyphenyl)prop-2-en-1-one

Database IDs

• PubChem SID: 164247950
• PubChem CID: 7081581

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.9672346
• LogD (pH = 7.4): 4.967235
• Log P: 4.967235
• Molar Refractivity: 110.3978 cm^3
• Polarizability: 43.54364 Å^3
• Polar Surface Area: 61.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds