ChemSpider 2D Image | 2-{[3-(Ethoxycarbonyl)-4-phenyl-2-thienyl]amino}-2-oxoethyl N-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-L-valinate | C30H32N2O7S

2-{[3-(Ethoxycarbonyl)-4-phenyl-2-thienyl]amino}-2-oxoethyl N-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-L-valinate

  • Molecular FormulaC30H32N2O7S
  • Average mass564.649 Da
  • Monoisotopic mass564.192993 Da
  • ChemSpider ID10909157

  • 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

2-{[3-(Ethoxycarbonyl)-4-phenyl-2-thienyl]amino}-2-oxoethyl N-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-L-valinate [ACD/IUPAC Name]
2-{[3-(Ethoxycarbonyl)-4-phenyl-2-thienyl]amino}-2-oxoethyl-N-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]-, 2-[[3-(ethoxycarbonyl)-4-phenyl-2-thienyl]amino]-2-oxoethyl ester [ACD/Index Name]
N-[(2E)-3-(4-Méthoxyphényl)-2-propenoyl]-L-valinate de 2-{[3-(éthoxycarbonyl)-4-phényl-2-thiényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
ETHYL 2-(2-{[(2S)-2-[(2E)-3-(4-METHOXYPHENYL)PROP-2-ENAMIDO]-3-METHYLBUTANOYL]OXY}ACETAMIDO)-4-PHENYLTHIOPHENE-3-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 802.4±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: 439.1±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5100.94
ACD/KOC (pH 5.5): 15686.59
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5100.58
ACD/KOC (pH 7.4): 15685.47
Polar Surface Area: 148 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 450.3±3.0 cm3

Click to predict properties on the Chemicalize site


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