ChemSpider 2D Image | 8-[(2-Chlorobenzoyl)amino]-1-{4-[(N,N-dimethyl-beta-alanyl)amino]phenyl}-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide | C30H29ClN6O3

8-[(2-Chlorobenzoyl)amino]-1-{4-[(N,N-dimethyl-β-alanyl)amino]phenyl}-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide

  • Molecular FormulaC30H29ClN6O3
  • Average mass557.043 Da
  • Monoisotopic mass556.198975 Da
  • ChemSpider ID76747556

More details:

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

1H-Benz[g]indazole-3-carboxamide, 8-[(2-chlorobenzoyl)amino]-1-[4-[[3-(dimethylamino)-1-oxopropyl]amino]phenyl]-4,5-dihydro- [ACD/Index Name]
8-[(2-Chlorbenzoyl)amino]-1-{4-[(N,N-dimethyl-β-alanyl)amino]phenyl}-4,5-dihydro-1H-benzo[g]indazol-3-carboxamid [German] [ACD/IUPAC Name]
8-[(2-Chlorobenzoyl)amino]-1-{4-[(N,N-dimethyl-β-alanyl)amino]phenyl}-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide [ACD/IUPAC Name]
8-[(2-Chlorobenzoyl)amino]-1-{4-[(N,N-diméthyl-β-alanyl)amino]phényl}-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 742.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 402.9±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 153.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 7.76
ACD/KOC (pH 7.4): 87.44
Polar Surface Area: 122 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 404.0±7.0 cm3

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