ChemSpider 2D Image | (2E)-1-[4-(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-3-(3-methoxyphenyl)-2-propen-1-one | C32H29N5O2

(2E)-1-[4-(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-3-(3-methoxyphenyl)-2-propen-1-one

  • Molecular FormulaC32H29N5O2
  • Average mass515.605 Da
  • Monoisotopic mass515.232117 Da
  • ChemSpider ID17580109

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[4-(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-3-(3-methoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[4-(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-3-(3-methoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[4-(5,7-Diphényl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pipérazinyl]-3-(3-méthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-(5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-3-(3-methoxyphenyl)-, (2E)- [ACD/Index Name]
(2E)-1-[4-(5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one
1-[4-(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-3-(3-methoxy-phenyl)-propenone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 714.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.8±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 154.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 415.00
ACD/KOC (pH 5.5): 1385.86
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3451.41
ACD/KOC (pH 7.4): 11525.65
Polar Surface Area: 63 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 420.6±7.0 cm3

Click to predict properties on the Chemicalize site


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