ChemSpider 2D Image | 1-Methyl-4-({[1-methyl-4-({4-[(E)-2-(2-naphthyl)vinyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(4-morpholinyl)ethyl]-1H-pyrrole-2-carboxamide | C37H38N6O4

1-Methyl-4-({[1-methyl-4-({4-[(E)-2-(2-naphthyl)vinyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(4-morpholinyl)ethyl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC37H38N6O4
  • Average mass630.735 Da
  • Monoisotopic mass630.295471 Da
  • ChemSpider ID23299764

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-2-carboxamide, 1-methyl-4-[[[1-methyl-4-[[4-[(E)-2-(2-naphthalenyl)ethenyl]benzoyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
1-Methyl-4-({[1-methyl-4-({4-[(E)-2-(2-naphthyl)vinyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(4-morpholinyl)ethyl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
1-Methyl-4-({[1-methyl-4-({4-[(E)-2-(2-naphthyl)vinyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(4-morpholinyl)ethyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
1-Méthyl-4-({[1-méthyl-4-({4-[(E)-2-(2-naphtyl)vinyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(4-morpholinyl)éthyl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
1-methyl-4-({[1-methyl-4-({4-[(E)-2-(naphthalen-2-yl)ethenyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
1-methyl-N-[1-methyl-5-({[2-(4-morpholinyl)ethyl]amino}carbonyl)-1H-pyrrol-3-yl]-4-({4-[(E)-2-(2-naphthyl)ethenyl]benzoyl}amino)-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: 770.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 419.8±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 182.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 197.06
ACD/KOC (pH 5.5): 681.63
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2792.19
ACD/KOC (pH 7.4): 9658.39
Polar Surface Area: 110 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 498.9±7.0 cm3

Click to predict properties on the Chemicalize site


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