ChemSpider 2D Image | (2E)-N-{2-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl}-3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylamide | C23H30N8O

(2E)-N-{2-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl}-3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylamide

  • Molecular FormulaC23H30N8O
  • Average mass434.537 Da
  • Monoisotopic mass434.254272 Da
  • ChemSpider ID31063302

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-{2-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl}-3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylamid [German] [ACD/IUPAC Name]
(2E)-N-{2-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl}-3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylamide [ACD/IUPAC Name]
(2E)-N-{2-[4-Amino-6-(diméthylamino)-1,3,5-triazin-2-yl]éthyl}-3-[3,5-diméthyl-1-(4-méthylbenzyl)-1H-pyrazol-4-yl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl]-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 125.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 32.28
ACD/KOC (pH 5.5): 395.35
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.32
ACD/KOC (pH 7.4): 481.63
Polar Surface Area: 115 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 351.8±7.0 cm3

Click to predict properties on the Chemicalize site


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