ChemSpider 2D Image | (2E)-N-(7-Ethoxy-4-{[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]amino}-6-quinazolinyl)-3-[(2R)-1-methyl-2-pyrrolidinyl]acrylamide | C30H31N9O3

(2E)-N-(7-Ethoxy-4-{[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]amino}-6-quinazolinyl)-3-[(2R)-1-methyl-2-pyrrolidinyl]acrylamide

  • Molecular FormulaC30H31N9O3
  • Average mass565.626 Da
  • Monoisotopic mass565.255005 Da
  • ChemSpider ID129240037

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-N-(7-Ethoxy-4-{[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]amino}-6-chinazolinyl)-3-[(2R)-1-methyl-2-pyrrolidinyl]acrylamid [German] [ACD/IUPAC Name]
(2E)-N-(7-Ethoxy-4-{[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]amino}-6-quinazolinyl)-3-[(2R)-1-methyl-2-pyrrolidinyl]acrylamide [ACD/IUPAC Name]
(2E)-N-(7-Éthoxy-4-{[3-méthyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phényl]amino}-6-quinazolinyl)-3-[(2R)-1-méthyl-2-pyrrolidinyl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[7-ethoxy-4-[[3-methyl-4-(1,2,4-triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]amino]-6-quinazolinyl]-3-[(2R)-1-methyl-2-pyrrolidinyl]-, (2E)- [ACD/Index Name]

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: 1.706
Molar Refractivity: 157.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 17.29
Polar Surface Area: 132 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 405.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement