ChemSpider 2D Image | N-[2-(Dimethylamino)ethyl]-4-{[(4-{4-[(3R)-3-methyl-4-morpholinyl]-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl}phenyl)carbamoyl]amino}benzamide | C32H41N9O4

N-[2-(Dimethylamino)ethyl]-4-{[(4-{4-[(3R)-3-methyl-4-morpholinyl]-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl}phenyl)carbamoyl]amino}benzamide

  • Molecular FormulaC32H41N9O4
  • Average mass615.726 Da
  • Monoisotopic mass615.328125 Da
  • ChemSpider ID24676573

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

Benzamide, N-[2-(dimethylamino)ethyl]-4-[[[[4-[4-[(3R)-3-methyl-4-morpholinyl]-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]phenyl]amino]carbonyl]amino]- [ACD/Index Name]
N-[2-(Dimethylamino)ethyl]-4-{[(4-{4-[(3R)-3-methyl-4-morpholinyl]-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl}phenyl)carbamoyl]amino}benzamid [German] [ACD/IUPAC Name]
N-[2-(Dimethylamino)ethyl]-4-{[(4-{4-[(3R)-3-methyl-4-morpholinyl]-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl}phenyl)carbamoyl]amino}benzamide [ACD/IUPAC Name]
N-[2-(Diméthylamino)éthyl]-4-{[(4-{4-[(3R)-3-méthyl-4-morpholinyl]-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl}phényl)carbamoyl]amino}benzamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 170.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.48
Polar Surface Area: 137 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 475.0±3.0 cm3

Click to predict properties on the Chemicalize site


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