({amino[(3-phenylprop-2-en-1-yl)oxy]methylidene}amino)(phenylmethylidene)amine

• ChemBase ID: 74635
• Molecular Formular: C17H17N3O
• Molecular Mass: 279.33638
• Monoisotopic Mass: 279.13716218
• SMILES: N(=C(\N)/OC/C=C/c1ccccc1)\N=C\c1ccccc1
• Canonical SMILES: N/C(=N\N=C\c1ccccc1)/OC/C=C/c1ccccc1
• InChI: InChI=1S/C17H17N3O/c18-17(20-19-14-16-10-5-2-6-11-16)21-13-7-12-15-8-3-1-4-9-15/h1-12,14H,13H2,(H2,18,20)
• InChIKey: PMNLGKLHMQHPAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({amino[(3-phenylprop-2-en-1-yl)oxy]methylidene}amino)(phenylmethylidene)amine
• IUPAC Traditional name: ({amino[(3-phenylprop-2-en-1-yl)oxy]methylidene}amino)(phenylmethylidene)amine
• Synonyms: 2,3-diaza-4-phenyl-1-(3-phenylprop-2-enyloxy)buta-1,3-dienylamine

Database IDs

• MDL Number: MFCD00246061
• PubChem SID: 162039554
• PubChem CID: 9580396

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.7014604
• LogD (pH = 7.4): 3.701995
• Log P: 3.7020018
• Molar Refractivity: 86.5679 cm^3
• Polarizability: 32.252758 Å^3
• Polar Surface Area: 59.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true