ChemSpider 2D Image | N-{5-[(5-{[3-(Dimethylamino)propyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-[(E)-2-(3-methoxyphenyl)vinyl]-1-methyl-1H-pyrrole-2-carboxamide | C32H39N7O4

N-{5-[(5-{[3-(Dimethylamino)propyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-[(E)-2-(3-methoxyphenyl)vinyl]-1-methyl-1H-pyrrole-2-carboxamide

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID23299716
  • Double-bond stereo - Double-bond stereo


More details:






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

1H-Pyrrole-2-carboxamide, N-[5-[[[3-(dimethylamino)propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-[[[4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl- [ACD/Index Name]
N-{5-[(5-{[3-(dimethylamino)propyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-methyl-1H-pyrrole-2-carboxamide
N-{5-[(5-{[3-(Dimethylamino)propyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-[(E)-2-(3-methoxyphenyl)vinyl]-1-methyl-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-{5-[(5-{[3-(Dimethylamino)propyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-[(E)-2-(3-methoxyphenyl)vinyl]-1-methyl-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-{5-[(5-{[3-(Diméthylamino)propyl]carbamoyl}-1-méthyl-1H-pyrrol-3-yl)carbamoyl]-1-méthyl-1H-pyrrol-3-yl}-4-[(E)-2-(3-méthoxyphényl)vinyl]-1-méthyl-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
N-[5-({[3-(dimethylamino)propyl]amino}carbonyl)-1-methyl-1H-pyrrol-3-yl]-4-[({4-[(E)-2-(3-methoxyphenyl)ethenyl]-1-methyl-1H-pyrrol-2-yl}carbonyl)amino]-1-methyl-1H-pyrrole-2-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 704.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.7±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 167.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.73
Polar Surface Area: 115 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 483.1±7.0 cm3

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