ChemSpider 2D Image | N-[(2E)-3-(4-{2-Amino-5-[(1E)-3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1H-imidazol-4-yl}-2-imino-5-oxo-4-imidazolidinyl)-2-propen-1-yl]-4-bromo-1H-pyrrole-2-carboxamide | C22H22Br2N10O3

N-[(2E)-3-(4-{2-Amino-5-[(1E)-3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1H-imidazol-4-yl}-2-imino-5-oxo-4-imidazolidinyl)-2-propen-1-yl]-4-bromo-1H-pyrrole-2-carboxamide

  • Molecular FormulaC22H22Br2N10O3
  • Average mass634.283 Da
  • Monoisotopic mass632.024292 Da
  • ChemSpider ID35516649

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-2-carboxamide, N-[(2E)-3-[4-[2-amino-5-[(1E)-3-[[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino]-1-propen-1-yl]-1H-imidazol-4-yl]-2-imino-5-oxo-4-imidazolidinyl]-2-propen-1-yl]-4-bromo- [ACD/Index Name]
N-[(2E)-3-(4-{2-Amino-5-[(1E)-3-{[(4-brom-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1H-imidazol-4-yl}-2-imino-5-oxo-4-imidazolidinyl)-2-propen-1-yl]-4-brom-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-[(2E)-3-(4-{2-Amino-5-[(1E)-3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propen-1-yl]-1H-imidazol-4-yl}-2-imino-5-oxo-4-imidazolidinyl)-2-propen-1-yl]-4-bromo-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-[(2E)-3-(4-{2-Amino-5-[(1E)-3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-1-propén-1-yl]-1H-imidazol-4-yl}-2-imino-5-oxo-4-imidazolidinyl)-2-propén-1-yl]-4-bromo-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.808
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.34
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 49.08
Polar Surface Area: 209 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 80.6±7.0 dyne/cm
Molar Volume: 325.7±7.0 cm3

Click to predict properties on the Chemicalize site


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