ChemSpider 2D Image | Ethyl 4-(4-benzyl-1-piperazinyl)-3-{[(2E)-3-(4-chloro-3-nitrophenyl)-2-propenoyl]amino}benzoate | C29H29ClN4O5

Ethyl 4-(4-benzyl-1-piperazinyl)-3-{[(2E)-3-(4-chloro-3-nitrophenyl)-2-propenoyl]amino}benzoate

  • Molecular FormulaC29H29ClN4O5
  • Average mass549.017 Da
  • Monoisotopic mass548.182678 Da
  • ChemSpider ID12718054

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(4-Benzyl-1-pipérazinyl)-3-{[(2E)-3-(4-chloro-3-nitrophényl)-2-propenoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(2E)-3-(4-chloro-3-nitrophenyl)-1-oxo-2-propen-1-yl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-benzyl-1-piperazinyl)-3-{[(2E)-3-(4-chloro-3-nitrophenyl)-2-propenoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-(4-benzyl-1-piperazinyl)-3-{[(2E)-3-(4-chlor-3-nitrophenyl)-2-propenoyl]amino}benzoat [German] [ACD/IUPAC Name]
(E)-ethyl 4-(4-benzylpiperazin-1-yl)-3-(3-(4-chloro-3-nitrophenyl)acrylamido)benzoate
4-(4-Benzyl-piperazin-1-yl)-3-[3-(4-chloro-3-nitro-phenyl)-acryloylamino]-benzoic acid ethyl ester
792938-60-4 [RN]
benzoic acid, 3-[[(2E)-3-(4-chloro-3-nitrophenyl)-1-oxo-2-propenyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]-, ethyl ester
ETHYL 4-(4-BENZYLPIPERAZIN-1-YL)-3-[(2E)-3-(4-CHLORO-3-NITROPHENYL)PROP-2-ENAMIDO]BENZOATE
ethyl 4-(4-benzylpiperazin-1-yl)-3-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 745.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.7±3.0 kJ/mol
    Flash Point: 404.8±32.9 °C
    Index of Refraction: 1.662
    Molar Refractivity: 152.1±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.89
    ACD/LogD (pH 5.5): 4.35
    ACD/BCF (pH 5.5): 834.44
    ACD/KOC (pH 5.5): 2807.45
    ACD/LogD (pH 7.4): 4.98
    ACD/BCF (pH 7.4): 3562.84
    ACD/KOC (pH 7.4): 11987.01
    Polar Surface Area: 108 Å2
    Polarizability: 60.3±0.5 10-24cm3
    Surface Tension: 61.7±3.0 dyne/cm
    Molar Volume: 411.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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