ChemSpider 2D Image | 5-Nitro-2-[3-(4-{3-[(6-oxo-6H-imidazo[4,5,1-de]acridin-5-yl)amino]propyl}-1-piperazinyl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione | C36H33N7O5

5-Nitro-2-[3-(4-{3-[(6-oxo-6H-imidazo[4,5,1-de]acridin-5-yl)amino]propyl}-1-piperazinyl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC36H33N7O5
  • Average mass643.691 Da
  • Monoisotopic mass643.254333 Da
  • ChemSpider ID388189

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-nitro-2-[3-[4-[3-[(6-oxo-6H-imidazo[4,5,1-de]acridin-5-yl)amino]propyl]-1-piperazinyl]propyl]- [ACD/Index Name]
5-Nitro-2-[3-(4-{3-[(6-oxo-6H-imidazo[4,5,1-de]acridin-5-yl)amino]propyl}-1-piperazinyl)propyl]-1H-benzo[de]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
5-Nitro-2-[3-(4-{3-[(6-oxo-6H-imidazo[4,5,1-de]acridin-5-yl)amino]propyl}-1-pipérazinyl)propyl]-1H-benzo[de]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]
5-Nitro-2-[3-(4-{3-[(6-oxo-6H-imidazo[4,5,1-de]acridin-5-yl)amino]propyl}-1-piperazinyl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione [ACD/IUPAC Name]
5-nitro-2-[3-(4-{3-[(6-oxo-6H-imidazo[4,5,1-de]acridin-5-yl)amino]propyl}piperazin-1-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
5-nitro-2-(3-{4-[3-(6-oxo-6h-2,10b-diaza-aceanthrylen-5-ylamino)-propyl]-piperazin-1-yl}-propyl)-2-aza-phenalene-1,3-dione
5-nitro-2-(3-{4-[3-(6-oxo-6H-2,10b-diaza-aceanthrylen-5-ylamino)-propyl]-piperazin-1-yl}-propyl)-benzo[de]isoquinoline-1,3-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL372469/
WMC-79

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

NCI60_034307 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 892.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 493.8±37.1 °C
Index of Refraction: 1.762
Molar Refractivity: 178.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 15.10
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 122.84
ACD/KOC (pH 7.4): 762.30
Polar Surface Area: 137 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 432.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement