ChemSpider 2D Image | N,N'-1,2-Phenylenebis[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide] | C38H30N4O6

N,N'-1,2-Phenylenebis[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide]

  • Molecular FormulaC38H30N4O6
  • Average mass638.668 Da
  • Monoisotopic mass638.216553 Da
  • ChemSpider ID3566855

More details:

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

1H-Benz[de]isoquinoline-2(3H)-butanamide, N,N'-1,2-phenylenebis[1,3-dioxo- [ACD/Index Name]
N,N'-1,2-Phenylenbis[4-(1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl)butanamid] [German] [ACD/IUPAC Name]
N,N'-1,2-Phénylènebis[4-(1,3-dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)butanamide] [French] [ACD/IUPAC Name]
N,N'-1,2-Phenylenebis[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide] [ACD/IUPAC Name]
399004-12-7 [RN]
4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-{2-[4-(1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-butyrylamino]-phenyl}-butyramide
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-{[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]amino}phenyl)butanamide
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]phenyl]butanamide
N,N'-(1,2-phenylene)bis(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide)
N,N'-benzene-1,2-diylbis[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide]

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

AE-641/41201894 [DBID]
ZINC08386332 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 947.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.0±3.0 kJ/mol
Flash Point: 526.8±32.9 °C
Index of Refraction: 1.740
Molar Refractivity: 180.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1241.19
ACD/KOC (pH 5.5): 5703.64
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1241.34
ACD/KOC (pH 7.4): 5704.36
Polar Surface Area: 133 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 75.5±3.0 dyne/cm
Molar Volume: 447.1±3.0 cm3

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