ChemSpider 2D Image | 4-(3-{2-[(2,6-Dimethylbenzyl)amino]-2-oxoethyl}-4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide | C30H29FN6O3

4-(3-{2-[(2,6-Dimethylbenzyl)amino]-2-oxoethyl}-4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide

  • Molecular FormulaC30H29FN6O3
  • Average mass540.588 Da
  • Monoisotopic mass540.228516 Da
  • ChemSpider ID58922107

More details:

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

4-(3-{2-[(2,6-Dimethylbenzyl)amino]-2-oxoethyl}-4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide [ACD/IUPAC Name]
4-(3-{2-[(2,6-Diméthylbenzyl)amino]-2-oxoéthyl}-4-fluorophényl)-N-(1H-indazol-5-yl)-6-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
4-(3-{2-[(2,6-Dimethylbenzyl)amino]-2-oxoethyl}-4-fluorphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
5-Pyrimidinecarboxamide, 4-[3-[2-[[(2,6-dimethylphenyl)methyl]amino]-2-oxoethyl]-4-fluorophenyl]-1,2,3,4-tetrahydro-N-1H-indazol-5-yl-6-methyl-2-oxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 850.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 467.9±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 150.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 489.45
ACD/KOC (pH 5.5): 2928.31
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 489.40
ACD/KOC (pH 7.4): 2927.99
Polar Surface Area: 128 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 405.4±3.0 cm3

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