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Search term: VJGVUTLADNGMJV-XNTDXEJSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2E)-3-[4-Amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-isopropylacrylamide | C22H23ClN6O2

(2E)-3-[4-Amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-isopropylacrylamide

  • Molecular FormulaC22H23ClN6O2
  • Average mass438.910 Da
  • Monoisotopic mass438.157104 Da
  • ChemSpider ID61716415

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-Amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-isopropylacrylamide [ACD/IUPAC Name]
(2E)-3-[4-Amino-5-(4-chlorophényl)-7-(2-méthoxyéthyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-isopropylacrylamide [French] [ACD/IUPAC Name]
(2E)-3-[4-Amino-5-(4-chlorphenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyan-N-isopropylacrylamid [German] [ACD/IUPAC Name]
2-Propenamide, 3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(1-methylethyl)-, (2E)- [ACD/Index Name]
(2e)-3-[4-Amino-5-(4-Chlorophenyl)-7-(2-Methoxyethyl)-7h-Pyrrolo[2,3-D]pyrimidin-6-Yl]-2-Cyano-N-(Propan-2-Yl)prop-2-Enamide
73A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 119.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 94.53
ACD/KOC (pH 5.5): 867.46
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.69
ACD/KOC (pH 7.4): 997.45
Polar Surface Area: 119 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 329.9±7.0 cm3

Click to predict properties on the Chemicalize site


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