ChemSpider 2D Image | 3-(4-Bromophenyl)-1-[3-(carbamoylamino)propyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C23H22BrN5O7

3-(4-Bromophenyl)-1-[3-(carbamoylamino)propyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC23H22BrN5O7
  • Average mass560.354 Da
  • Monoisotopic mass559.070251 Da
  • ChemSpider ID4268064

More details:

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

3-(4-Bromophenyl)-1-[3-(carbamoylamino)propyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
3-(4-Bromphenyl)-1-[3-(carbamoylamino)propyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
Acide 3-(4-bromophényl)-1-[3-(carbamoylamino)propyl]-5-(3-nitrophényl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 1-[3-[(aminocarbonyl)amino]propyl]-3-(4-bromophenyl)octahydro-5-(3-nitrophenyl)-4,6-dioxo- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 826.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 453.6±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 127.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 350.3±3.0 cm3

Click to predict properties on the Chemicalize site


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