ChemSpider 2D Image | ACT-451840 | C47H54N6O3

ACT-451840

  • Molecular FormulaC47H54N6O3
  • Average mass750.970 Da
  • Monoisotopic mass750.425720 Da
  • ChemSpider ID52085441

  • 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-[4-(4-Acetyl-1-piperazinyl)benzyl]-N-{(2S)-1-[4-(4-cyanbenzyl)-1-piperazinyl]-1-oxo-3-phenyl-2-propanyl}-3-[4-(2-methyl-2-propanyl)phenyl]acrylamid [German] [ACD/IUPAC Name]
(2E)-N-[4-(4-Acetyl-1-piperazinyl)benzyl]-N-{(2S)-1-[4-(4-cyanobenzyl)-1-piperazinyl]-1-oxo-3-phenyl-2-propanyl}-3-[4-(2-methyl-2-propanyl)phenyl]acrylamide [ACD/IUPAC Name]
(2E)-N-[4-(4-Acétyl-1-pipérazinyl)benzyl]-N-{(2S)-1-[4-(4-cyanobenzyl)-1-pipérazinyl]-1-oxo-3-phényl-2-propanyl}-3-[4-(2-méthyl-2-propanyl)phényl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[[4-(4-acetyl-1-piperazinyl)phenyl]methyl]-N-[(1S)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-2-oxo-1-(phenylmethyl)ethyl]-3-[4-(1,1-dimethylethyl)phenyl]-, (2E)- [ACD/Index Name]
ACT-451840
(2E)-N-{[4-(4-acetylpiperazin-1-yl)phenyl]methyl}-3-(4-tert-butylphenyl)-N-[(2S)-1-{4-[(4-cyanophenyl)methyl]piperazin-1-yl}-1-oxo-3-phenylpropan-2-yl]prop-2-enamide
1314143-88-8 [RN]
1839508-99-4 [RN]
1984890-99-4 [RN]
MFCD31700747
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 953.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.0±3.0 kJ/mol
Flash Point: 530.6±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 222.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 24841.20
ACD/KOC (pH 5.5): 46141.49
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29986.24
ACD/KOC (pH 7.4): 55698.18
Polar Surface Area: 91 Å2
Polarizability: 88.4±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 609.6±5.0 cm3

Click to predict properties on the Chemicalize site


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