ChemSpider 2D Image | Ethyl 3-(4-{[(2Z)-2-acetamido-3-phenyl-2-propenoyl]amino}phenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate | C30H27N3O6

Ethyl 3-(4-{[(2Z)-2-acetamido-3-phenyl-2-propenoyl]amino}phenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate

  • Molecular FormulaC30H27N3O6
  • Average mass525.552 Da
  • Monoisotopic mass525.190002 Da
  • ChemSpider ID4447787

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Isoindole-2-acetic acid, α-[[4-[[(2Z)-2-(acetylamino)-1-oxo-3-phenyl-2-propen-1-yl]amino]phenyl]methyl]-1,3-dihydro-1,3-dioxo-, ethyl ester [ACD/Index Name]
3-(4-{[(2Z)-2-Acétamido-3-phényl-2-propenoyl]amino}phényl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(4-{[(2Z)-2-acetamido-3-phenyl-2-propenoyl]amino}phenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate [ACD/IUPAC Name]
Ethyl 3-(4-{[(2Z)-2-acetamido-3-phenylprop-2-enoyl]amino}phenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Ethyl-3-(4-{[(2Z)-2-acetamido-3-phenyl-2-propenoyl]amino}phenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoat [German] [ACD/IUPAC Name]
3-[4-(2-Acetylamino-3-phenyl-acryloylamino)-phenyl]-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionic acid ethyl ester
ethyl 3-(4-{[(2Z)-2-(acetylamino)-3-phenylprop-2-enoyl]amino}phenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
ethyl 3-{4-[(2Z)-2-(acetylamino)-3-phenylprop-2-enoylamino]phenyl}-2-(1,3-dioxobenzo[c]azolin-2-yl)propanoate

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

A0064/0002790 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 802.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 439.3±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 876.23
ACD/KOC (pH 5.5): 4445.57
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 876.21
ACD/KOC (pH 7.4): 4445.43
Polar Surface Area: 122 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 392.6±3.0 cm3

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