N-(4-{[(4E)-2-(4-methoxyphenyl)-4H-chromen-4-ylidene]amino}phenyl)acetamide

• ChemBase ID: 188396
• Molecular Formular: C24H20N2O3
• Molecular Mass: 384.4272
• Monoisotopic Mass: 384.14739251
• SMILES: c\1(=N/c2ccc(NC(=O)C)cc2)/cc(oc2c1cccc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c/c(=N\c2ccc(cc2)NC(=O)C)/c2c(o1)cccc2
• InChI: InChI=1S/C24H20N2O3/c1-16(27)25-18-9-11-19(12-10-18)26-22-15-24(17-7-13-20(28-2)14-8-17)29-23-6-4-3-5-21(22)23/h3-15H,1-2H3,(H,25,27)/b26-22+
• InChIKey: ITLSMDVTVZWUQQ-XTCLZLMSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[(4E)-2-(4-methoxyphenyl)-4H-chromen-4-ylidene]amino}phenyl)acetamide
• IUPAC Traditional name: N-(4-{[(4E)-2-(4-methoxyphenyl)chromen-4-ylidene]amino}phenyl)acetamide

Database IDs

• PubChem SID: 164244306
• PubChem CID: 1659186

CALCULATED PROPERTIES

• Acid pKa: 14.348925
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.2091436
• LogD (pH = 7.4): 4.2091823
• Log P: 4.2091827
• Molar Refractivity: 117.043 cm^3
• Polarizability: 42.90472 Å^3
• Polar Surface Area: 59.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds