ChemSpider 2D Image | N-[3-carbamoyl-1-(4-fluorophenyl)-1H,4H,5H-benzo[g]indazol-8-yl]-5-chloro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide | C29H27ClFN7O2

N-[3-carbamoyl-1-(4-fluorophenyl)-1H,4H,5H-benzo[g]indazol-8-yl]-5-chloro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

  • Molecular FormulaC29H27ClFN7O2
  • Average mass560.022 Da
  • Monoisotopic mass559.189880 Da
  • ChemSpider ID11321741

More details:

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

1H-Benz[g]indazole-3-carboxamide, 8-[[[5-chloro-2-(4-methyl-1-piperazinyl)-4-pyridinyl]carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydro- [ACD/Index Name]
503555-55-3 [RN]
8-{[5-Chlor-2-(4-methyl-1-piperazinyl)isonicotinoyl]amino}-1-(4-fluorphenyl)-4,5-dihydro-1H-benzo[g]indazol-3-carboxamid [German] [ACD/IUPAC Name]
8-{[5-Chloro-2-(4-methyl-1-piperazinyl)isonicotinoyl]amino}-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide [ACD/IUPAC Name]
8-{[5-Chloro-2-(4-méthyl-1-pipérazinyl)isonicotinoyl]amino}-1-(4-fluorophényl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide [French] [ACD/IUPAC Name]
N-[3-carbamoyl-1-(4-fluorophenyl)-1H,4H,5H-benzo[g]indazol-8-yl]-5-chloro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
8-(5-chloro-2-(4-methylpiperazin-1-yl)isonicotinamido)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
8-[[5-Chloro-2-(4-methylpiperazin-1-yl)isonicotinoyl]amino]-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
PHA 408
PHA-408

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

PubChem Substance ID 329825761 [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: 727.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.7±32.9 °C
Index of Refraction: 1.727
Molar Refractivity: 149.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 8.64
ACD/KOC (pH 5.5): 76.02
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 107.52
ACD/KOC (pH 7.4): 946.17
Polar Surface Area: 109 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 376.7±7.0 cm3

Click to predict properties on the Chemicalize site


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