ChemSpider 2D Image | 4-Amino-6-({(1S)-1-[6-(3-{[{3-[(2R,6S)-2,6-dimethyl-4-morpholinyl]propyl}(methyl)amino]methyl}phenyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl}amino)-5-pyrimidinecarbonitrile | C32H40N8O2S

4-Amino-6-({(1S)-1-[6-(3-{[{3-[(2R,6S)-2,6-dimethyl-4-morpholinyl]propyl}(methyl)amino]methyl}phenyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl}amino)-5-pyrimidinecarbonitrile

  • Molecular FormulaC32H40N8O2S
  • Average mass600.777 Da
  • Monoisotopic mass600.299500 Da
  • ChemSpider ID76792762

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Amino-6-({(1S)-1-[6-(3-{[{3-[(2R,6S)-2,6-dimethyl-4-morpholinyl]propyl}(methyl)amino]methyl}phenyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl}amino)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Amino-6-({(1S)-1-[6-(3-{[{3-[(2R,6S)-2,6-dimethyl-4-morpholinyl]propyl}(methyl)amino]methyl}phenyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl}amino)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Amino-6-({(1S)-1-[6-(3-{[{3-[(2R,6S)-2,6-diméthyl-4-morpholinyl]propyl}(méthyl)amino]méthyl}phényl)-3-méthyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]éthyl}amino)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-amino-6-[[(1S)-1-[6-[3-[[[3-[(2R,6S)-2,6-dimethyl-4-morpholinyl]propyl]methylamino]methyl]phenyl]-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]- [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: 850.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 468.2±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 41.31
ACD/KOC (pH 7.4): 220.26
Polar Surface Area: 149 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 456.2±5.0 cm3

Click to predict properties on the Chemicalize site


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