ChemSpider 2D Image | N-[2-[(1R,4S)-6-[[4-(Cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydronaphthalen-1,4-imin-9-yl]-2-oxoethyl]acetamide | C23H25F3N6O2

N-[2-[(1R,4S)-6-[[4-(Cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydronaphthalen-1,4-imin-9-yl]-2-oxoethyl]acetamide

  • Molecular FormulaC23H25F3N6O2
  • Average mass474.479 Da
  • Monoisotopic mass474.199097 Da
  • ChemSpider ID21437053

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

942487-62-9 [RN]
Acetamide, N-[2-[(1R,4S)-6-[[4-(cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydronaphthalen-1,4-imin-9-yl]-2-oxoethyl]- [ACD/Index Name]
N-[2-[(1R,4S)-6-[[4-(Cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydronaphthalen-1,4-imin-9-yl]-2-oxoethyl]acetamide
N-{2-[(1S,8R)-4-{[4-(Cyclobutylamino)-5-(trifluormethyl)-2-pyrimidinyl]amino}-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
N-{2-[(1S,8R)-4-{[4-(Cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-2-oxoethyl}acetamide [ACD/IUPAC Name]
N-{2-[(1S,8R)-4-{[4-(Cyclobutylamino)-5-(trifluorométhyl)-2-pyrimidinyl]amino}-11-azatricyclo[6.2.1.02,7]undéca-2,4,6-trién-11-yl]-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]
104090-92-8 [RN]
PF-3814735

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.49
ACD/KOC (pH 5.5): 490.09
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.76
ACD/KOC (pH 7.4): 528.65
Polar Surface Area: 99 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 328.8±3.0 cm3

Click to predict properties on the Chemicalize site


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