ChemSpider 2D Image | 1-{4-[(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoyl]phenyl}-2,5-dioxo-3-pyrrolidinyl 4-benzyl-1-piperazinecarbodithioate | C33H33N3O5S2

1-{4-[(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoyl]phenyl}-2,5-dioxo-3-pyrrolidinyl 4-benzyl-1-piperazinecarbodithioate

  • Molecular FormulaC33H33N3O5S2
  • Average mass615.762 Da
  • Monoisotopic mass615.186157 Da
  • ChemSpider ID12882217

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{4-[(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoyl]phenyl}-2,5-dioxo-3-pyrrolidinyl 4-benzyl-1-piperazinecarbodithioate [ACD/IUPAC Name]
1-{4-[(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoyl]phenyl}-2,5-dioxo-3-pyrrolidinyl-4-benzyl-1-piperazincarbodithioat [German] [ACD/IUPAC Name]
1-Piperazinecarbodithioic acid, 4-(phenylmethyl)-, 1-[4-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]phenyl]-2,5-dioxo-3-pyrrolidinyl ester [ACD/Index Name]
4-Benzyl-1-pipérazinecarbodithioate de 1-{4-[(2E)-3-(3,4-diméthoxyphényl)-2-propenoyl]phényl}-2,5-dioxo-3-pyrrolidinyle [French] [ACD/IUPAC Name]
1-{4-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl}-2,5-dioxopyrrolidin-3-yl 4-benzylpiperazine-1-carbodithioate
1-piperazinecarbodithioic acid, 4-(phenylmethyl)-, 1-[4-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]phenyl]-2,5-dioxo-3-pyrrolidinyl ester
MFCD09668212

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

Density: 1.4±0.1 g/cm3
Boiling Point: 827.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.4±37.1 °C
Index of Refraction: 1.695
Molar Refractivity: 172.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 205.45
ACD/KOC (pH 5.5): 1283.89
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.36
ACD/KOC (pH 7.4): 2595.67
Polar Surface Area: 137 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 447.7±5.0 cm3

Click to predict properties on the Chemicalize site


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