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

• ChemBase ID: 81965
• Molecular Formular: C26H38N2O3
• Molecular Mass: 426.59152
• Monoisotopic Mass: 426.28824309
• SMILES: N(=N\c1ccc(cc1)OCCCCCCC)(/O)\c1ccc(cc1)OCCCCCCC
• Canonical SMILES: CCCCCCCOc1ccc(cc1)/N=N(/O)\c1ccc(cc1)OCCCCCCC
• InChI: InChI=1S/C26H38N2O3/c1-3-5-7-9-11-21-30-25-17-13-23(14-18-25)27-28(29)24-15-19-26(20-16-24)31-22-12-10-8-6-4-2/h13-20H,3-12,21-22H2,1-2H3/b28-27+
• InChIKey: RFRFUCJJSRXPEE-BYYHNAKLSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00051360
• PubChem SID: 162069084
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 7.9100103
• LogD (pH = 7.4): 7.9100103
• Log P: 7.9100103
• Molar Refractivity: 129.4037 cm^3
• Polarizability: 49.172436 Å^3
• Polar Surface Area: 59.57 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false