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Search term: QTCMCOOGSCOKGD-MHZLTWQESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4S)-4-(3-{[2-(2,6-Dimethylphenyl)ethyl]carbamoyl}-4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide | C30H29FN6O3

(4S)-4-(3-{[2-(2,6-Dimethylphenyl)ethyl]carbamoyl}-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 ID59053745

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(3-{[2-(2,6-Dimethylphenyl)ethyl]carbamoyl}-4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide [ACD/IUPAC Name]
(4S)-4-(3-{[2-(2,6-Diméthylphényl)éthyl]carbamoyl}-4-fluorophényl)-N-(1H-indazol-5-yl)-6-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
(4S)-4-(3-{[2-(2,6-Dimethylphenyl)ethyl]carbamoyl}-4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide [ACD/IUPAC Name]
(4S)-4-(3-{[2-(2,6-Diméthylphényl)éthyl]carbamoyl}-4-fluorophényl)-N-(2H-indazol-5-yl)-6-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
(4S)-4-(3-{[2-(2,6-Dimethylphenyl)ethyl]carbamoyl}-4-fluorphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
(4S)-4-(3-{[2-(2,6-Dimethylphenyl)ethyl]carbamoyl}-4-fluorphenyl)-N-(2H-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)ethyl]amino]carbonyl]-4-fluorophenyl]-1,2,3,4-tetrahydro-N-1H-indazol-5-yl-6-methyl-2-oxo-, (4S)- [ACD/Index Name]
5-Pyrimidinecarboxamide, 4-[3-[[[2-(2,6-dimethylphenyl)ethyl]amino]carbonyl]-4-fluorophenyl]-1,2,3,4-tetrahydro-N-2H-indazol-5-yl-6-methyl-2-oxo-, (4S)- [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: 714.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 150.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 482.18
ACD/KOC (pH 5.5): 2897.04
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 482.12
ACD/KOC (pH 7.4): 2896.71
Polar Surface Area: 128 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 407.0±3.0 cm3

Click to predict properties on the Chemicalize site


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