ChemSpider 2D Image | Methyl 7-[({2-[(2E)-2,4-pentadien-2-yl(phenyl)amino]-5-pyrimidinyl}carbonyl)amino]heptanoate | C24H30N4O3

Methyl 7-[({2-[(2E)-2,4-pentadien-2-yl(phenyl)amino]-5-pyrimidinyl}carbonyl)amino]heptanoate

  • Molecular FormulaC24H30N4O3
  • Average mass422.520 Da
  • Monoisotopic mass422.231781 Da
  • ChemSpider ID68057187

More details:

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

7-[({2-[(2E)-2,4-Pentadién-2-yl(phényl)amino]-5-pyrimidinyl}carbonyl)amino]heptanoate de méthyle [French] [ACD/IUPAC Name]
Heptanoic acid, 7-[[[2-[[(1E)-1-methyl-1,3-butadien-1-yl]phenylamino]-5-pyrimidinyl]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 7-[({2-[(2E)-2,4-pentadien-2-yl(phenyl)amino]-5-pyrimidinyl}carbonyl)amino]heptanoate [ACD/IUPAC Name]
Methyl-7-[({2-[(2E)-2,4-pentadien-2-yl(phenyl)amino]-5-pyrimidinyl}carbonyl)amino]heptanoat [German] [ACD/IUPAC Name]
(E)-Methyl 7-(2-(penta-2,4-dien-2-yl(phenyl)amino)pyrimidine-5-carboxamido)heptanoate
1316216-07-5 [RN]
MFCD27939708 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.568
Molar Refractivity: 122.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.74
ACD/KOC (pH 5.5): 1436.16
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.74
ACD/KOC (pH 7.4): 1436.20
Polar Surface Area: 84 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 374.4±3.0 cm3

Click to predict properties on the Chemicalize site


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