ChemSpider 2D Image | N-[2-(Diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-{[4-(2-methyl-2-propanyl)benzyl]sulfonyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide | C33H42N4O4S

N-[2-(Diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-{[4-(2-methyl-2-propanyl)benzyl]sulfonyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide

  • Molecular FormulaC33H42N4O4S
  • Average mass590.776 Da
  • Monoisotopic mass590.292664 Da
  • ChemSpider ID8364202

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[[4-(1,1-dimethylethyl)phenyl]methyl]sulfonyl]-1,2-dihydro-2-oxo-3H-indol-3-ylidene]methyl]-2,4-dimethyl- [ACD/Index Name]
N-[2-(Diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-{[4-(2-methyl-2-propanyl)benzyl]sulfonyl}-2-oxo-1,2-dihydro-3H-indol-3-yliden)methyl]-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
N-[2-(Diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-{[4-(2-methyl-2-propanyl)benzyl]sulfonyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide [ACD/IUPAC Name]
N-[2-(Diéthylamino)éthyl]-2,4-diméthyl-5-[(Z)-(5-{[4-(2-méthyl-2-propanyl)benzyl]sulfonyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidène)méthyl]-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 775.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 422.8±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 166.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 2.63
ACD/KOC (pH 5.5): 9.71
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 40.60
ACD/KOC (pH 7.4): 149.61
Polar Surface Area: 120 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 489.0±3.0 cm3

Click to predict properties on the Chemicalize site


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