ChemSpider 2D Image | MGB-BP-3 | C36H37N7O4

MGB-BP-3

  • Molecular FormulaC36H37N7O4
  • Average mass631.724 Da
  • Monoisotopic mass631.290710 Da
  • ChemSpider ID23299672
  • Double-bond stereo - Double-bond stereo


More details:






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

1000277-08-6 [RN]
1H-Pyrrole-2-carboxamide, 1-methyl-4-[[[1-methyl-4-[[4-[(E)-2-(3-quinolinyl)ethenyl]benzoyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
1-Méthyl-4-({[1-méthyl-4-({4-[(E)-2-(3-quinoléinyl)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-(3-quinolinyl)vinyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(4-morpholinyl)ethyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
1-methyl-4-({[1-methyl-4-({4-[(E)-2-(quinolin-3-yl)ethenyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
4-({4-[(E)-2-(3-Chinolinyl)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]
532PWU9738
MGB-BP-3
1-methyl-4-({[1-methyl-4-({4-[(E)-2-(3-quinolinyl)ethenyl]benzoyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-N-[2-(4-morpholinyl)ethyl]-1H-pyrrole-2-carboxamide
1-METHYL-N-(1-METHYL-5-{[2-(MORPHOLIN-4-YL)ETHYL]CARBAMOYL}-1H-PYRROL-3-YL)-4-{4-[(E)-2-(QUINOLIN-3-YL)ETHENYL]BENZAMIDO}-1H-PYRROLE-2-CARBOXAMIDE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 770.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.6±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 180.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 9.68
ACD/KOC (pH 5.5): 77.83
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 143.66
ACD/KOC (pH 7.4): 1154.67
Polar Surface Area: 123 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 487.5±7.0 cm3

Click to predict properties on the Chemicalize site






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