ChemSpider 2D Image | N~4~-{5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-7-(4-ethyl-1-piperazinyl)-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-quinazolinediamine | C32H39N9O3

N4-{5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-7-(4-ethyl-1-piperazinyl)-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-quinazolinediamine

  • Molecular FormulaC32H39N9O3
  • Average mass597.711 Da
  • Monoisotopic mass597.317566 Da
  • ChemSpider ID58874809

More details:

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

2,4-Quinazolinediamine, N4-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethyl-1-piperazinyl)-N2-[(3-methyl-5-isoxazolyl)methyl]- [ACD/Index Name]
N4-{5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-7-(4-ethyl-1-piperazinyl)-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-chinazolindiamin [German] [ACD/IUPAC Name]
N4-{5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-7-(4-ethyl-1-piperazinyl)-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-quinazolinediamine [ACD/IUPAC Name]
N4-{5-[2-(3,5-Diméthoxyphényl)éthyl]-1H-pyrazol-3-yl}-7-(4-éthyl-1-pipérazinyl)-N2-[(3-méthyl-1,2-oxazol-5-yl)méthyl]-2,4-quinazolinediamine [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: 826.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.5±37.1 °C
Index of Refraction: 1.666
Molar Refractivity: 172.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 3.88
ACD/KOC (pH 7.4): 21.14
Polar Surface Area: 129 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 462.5±3.0 cm3

Click to predict properties on the Chemicalize site


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