ChemSpider 2D Image | Diisobutyl 4,4'-[1,3-phenylenebis(carbonylimino)]dibenzoate | C30H32N2O6

Diisobutyl 4,4'-[1,3-phenylenebis(carbonylimino)]dibenzoate

  • Molecular FormulaC30H32N2O6
  • Average mass516.585 Da
  • Monoisotopic mass516.226013 Da
  • ChemSpider ID2350852

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-METHYLPROPYL 4-[3-({4-[(2-METHYLPROPOXY)CARBONYL]PHENYL}CARBAMOYL)BENZAMIDO]BENZOATE
4,4'-[1,3-Phénylènebis(carbonylimino)]dibenzoate de diisobutyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,4'-[1,3-phenylenebis(carbonylimino)]bis-, bis(2-methylpropyl) ester [ACD/Index Name]
Diisobutyl 4,4'-[1,3-phenylenebis(carbonylimino)]dibenzoate [ACD/IUPAC Name]
Diisobutyl-4,4'-[1,3-phenylenbis(carbonylimino)]dibenzoat [German] [ACD/IUPAC Name]
297743-37-4 [RN]
bis(2-methylpropyl) 4,4'-[benzene-1,3-diylbis(carbonylimino)]dibenzoate
CSZZWRWUHSZMOP-UHFFFAOYSA-N
diisobutyl 4,4'-(isophthaloylbis(azanediyl))dibenzoate
isobutyl 4-[(3-{[4-(isobutoxycarbonyl)anilino]carbonyl}benzoyl)amino]benzoate

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-205/07841043 [DBID]
BAS 00225261 [DBID]
ZINC04066204 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 563.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.6±3.0 kJ/mol
    Flash Point: 294.3±28.7 °C
    Index of Refraction: 1.610
    Molar Refractivity: 146.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 6.94
    ACD/LogD (pH 5.5): 5.90
    ACD/BCF (pH 5.5): 17877.60
    ACD/KOC (pH 5.5): 38493.74
    ACD/LogD (pH 7.4): 5.90
    ACD/BCF (pH 7.4): 17877.27
    ACD/KOC (pH 7.4): 38493.02
    Polar Surface Area: 111 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 51.0±3.0 dyne/cm
    Molar Volume: 422.8±3.0 cm3

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