ChemSpider 2D Image | 4-({4-[(E)-2-(3-Methoxyphenyl)vinyl]benzoyl}amino)-1-methyl-N-(1-methyl-5-{[2-(4-morpholinyl)ethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrrole-2-carboxamide | C34H38N6O5

4-({4-[(E)-2-(3-Methoxyphenyl)vinyl]benzoyl}amino)-1-methyl-N-(1-methyl-5-{[2-(4-morpholinyl)ethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrrole-2-carboxamide

  • Molecular FormulaC34H38N6O5
  • Average mass610.703 Da
  • Monoisotopic mass610.290344 Da
  • ChemSpider ID23299662

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-2-carboxamide, 4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]-1H-pyrrol-3-yl]- [ACD/Index Name]
4-({4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl}amino)-1-methyl-N-(1-methyl-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrrole-2-carboxamide
4-({4-[(E)-2-(3-Methoxyphenyl)vinyl]benzoyl}amino)-1-methyl-N-(1-methyl-5-{[2-(4-morpholinyl)ethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-({4-[(E)-2-(3-Methoxyphenyl)vinyl]benzoyl}amino)-1-methyl-N-(1-methyl-5-{[2-(4-morpholinyl)ethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-({4-[(E)-2-(3-Méthoxyphényl)vinyl]benzoyl}amino)-1-méthyl-N-(1-méthyl-5-{[2-(4-morpholinyl)éthyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
4-({[4-({4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-1-methyl-N-[2-(4-morpholinyl)ethyl]-1H-pyrrole-2-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 736.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.1±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 172.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 12.77
ACD/KOC (pH 5.5): 96.13
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 180.91
ACD/KOC (pH 7.4): 1362.06
Polar Surface Area: 119 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 484.9±7.0 cm3

Click to predict properties on the Chemicalize site


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