Found 1 result

Search term: KQJWWWZXJNOLQF-SANMLTNESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4S)-4-{3-[(2,6-Dimethoxybenzyl)carbamoyl]-4-fluorophenyl}-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide | C29H27FN6O5

(4S)-4-{3-[(2,6-Dimethoxybenzyl)carbamoyl]-4-fluorophenyl}-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide

  • Molecular FormulaC29H27FN6O5
  • Average mass558.560 Da
  • Monoisotopic mass558.202698 Da
  • ChemSpider ID59053732

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-{3-[(2,6-Dimethoxybenzyl)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-[(2,6-Diméthoxybenzyl)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-[(2,6-Dimethoxybenzyl)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-[(2,6-Diméthoxybenzyl)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-[(2,6-Dimethoxybenzyl)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-[(2,6-Dimethoxybenzyl)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-[[[(2,6-dimethoxyphenyl)methyl]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-[[[(2,6-dimethoxyphenyl)methyl]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: 1.4±0.1 g/cm3
Boiling Point: 721.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.3±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 149.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.33
ACD/KOC (pH 5.5): 590.98
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.32
ACD/KOC (pH 7.4): 590.91
Polar Surface Area: 146 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 406.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement