1-(hexyloxy)-4-{1-[4-(hexyloxy)phenyl]-1-oxo-1$l^{5},2-diazen-2-yl}benzene

• ChemBase ID: 81966
• Molecular Formular: C24H34N2O3
• Molecular Mass: 398.53836
• Monoisotopic Mass: 398.25694296
• SMILES: N(=N\c1ccc(cc1)OCCCCCC)(/O)\c1ccc(cc1)OCCCCCC
• Canonical SMILES: CCCCCCOc1ccc(cc1)/N=N(/O)\c1ccc(cc1)OCCCCCC
• InChI: InChI=1S/C24H34N2O3/c1-3-5-7-9-19-28-23-15-11-21(12-16-23)25-26(27)22-13-17-24(18-14-22)29-20-10-8-6-4-2/h11-18H,3-10,19-20H2,1-2H3/b26-25+
• InChIKey: GWRSINRMEBHRIO-OCEACIFDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hexyloxy)-4-{1-[4-(hexyloxy)phenyl]-1-oxo-1$l^{5},2-diazen-2-yl}benzene
• IUPAC Traditional name: 1-(hexyloxy)-4-{1-[4-(hexyloxy)phenyl]-1-oxo-1$l^{5},2-diazen-2-yl}benzene
• Synonyms: 1,2-di[4-(hexyloxy)phenyl]-1-oxo-1lambda~5~-diaz-1-ene

Database IDs

• MDL Number: MFCD00043672
• PubChem SID: 162069085
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 7.0208726
• LogD (pH = 7.4): 7.0208726
• Log P: 7.0208726
• Molar Refractivity: 120.2017 cm^3
• Polarizability: 45.485306 Å^3
• Polar Surface Area: 59.57 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false