ChemSpider 2D Image | (2E)-3-{3-[6-(4-Methyl-1,4-diazepan-1-yl)-2-pyrazinyl]phenyl}acrylic acid | C19H22N4O2

(2E)-3-{3-[6-(4-Methyl-1,4-diazepan-1-yl)-2-pyrazinyl]phenyl}acrylic acid

  • Molecular FormulaC19H22N4O2
  • Average mass338.404 Da
  • Monoisotopic mass338.174286 Da
  • ChemSpider ID24706860

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{3-[6-(4-Methyl-1,4-diazepan-1-yl)-2-pyrazinyl]phenyl}acrylic acid [ACD/IUPAC Name]
(2E)-3-{3-[6-(4-Methyl-1,4-diazepan-1-yl)-2-pyrazinyl]phenyl}acrylsäure [German] [ACD/IUPAC Name]
(2e)-3-{3-[6-(4-Methyl-1,4-Diazepan-1-Yl)pyrazin-2-Yl]phenyl}prop-2-Enoic Acid
2-Propenoic acid, 3-[3-[6-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-2-pyrazinyl]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{3-[6-(4-méthyl-1,4-diazépan-1-yl)-2-pyrazinyl]phényl}acrylique [French] [ACD/IUPAC Name]
(E)-3-(3-(6-(4-Methyl-1,4-diazepan-1-yl)pyrazin-2-yl)phenyl)acrylic acid
1006699-32-6 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL493937/
pyrazine inhibitor, 1

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

985 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 299.2±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 70 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 277.8±3.0 cm3

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