ChemSpider 2D Image | 6-Amino-5-chloro-N-[(1S)-1-(5-{[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl}-1,3-thiazol-2-yl)ethyl]-4-pyrimidinecarboxamide | C17H12Cl2F3N7O2S

6-Amino-5-chloro-N-[(1S)-1-(5-{[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl}-1,3-thiazol-2-yl)ethyl]-4-pyrimidinecarboxamide

  • Molecular FormulaC17H12Cl2F3N7O2S
  • Average mass506.289 Da
  • Monoisotopic mass505.010223 Da
  • ChemSpider ID68906017

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1096708-73-4 [RN]
4-Pyrimidinecarboxamide, 6-amino-5-chloro-N-[(1S)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]- [ACD/Index Name]
6-Amino-5-chlor-N-[(1S)-1-(5-{[5-chlor-4-(trifluormethyl)-2-pyridinyl]carbamoyl}-1,3-thiazol-2-yl)ethyl]-4-pyrimidincarboxamid [German] [ACD/IUPAC Name]
6-Amino-5-chloro-N-[(1S)-1-(5-{[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl}-1,3-thiazol-2-yl)ethyl]-4-pyrimidinecarboxamide [ACD/IUPAC Name]
6-Amino-5-chloro-N-[(1S)-1-(5-{[5-chloro-4-(trifluorométhyl)-2-pyridinyl]carbamoyl}-1,3-thiazol-2-yl)éthyl]-4-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
6-Amino-5-chloro-N-[(1S)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-4-pyrimidinecarboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 585.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.8±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 78.16
ACD/KOC (pH 5.5): 787.66
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.91
ACD/KOC (pH 7.4): 785.07
Polar Surface Area: 164 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 308.7±3.0 cm3

Click to predict properties on the Chemicalize site


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