ChemSpider 2D Image | N-[(2E)-3-{2-Amino-4-[1-(2-amino-1H-imidazol-4-yl)-3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}propyl]-1H-imidazol-5-yl}-2-propen-1-yl]-4-bromo-1H-pyrrole-2-carboxamide | C22H24Br2N10O2

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

  • Molecular FormulaC22H24Br2N10O2
  • Average mass620.300 Da
  • Monoisotopic mass618.045044 Da
  • ChemSpider ID29214364

  • 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-[2-amino-4-[1-(2-amino-1H-imidazol-5-yl)-3-[[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino]propyl]-1H-imidazol-5-yl]-2-propen-1-yl]-4-bromo- [ACD/Index Name]
N-[(2E)-3-{2-Amino-4-[1-(2-amino-1H-imidazol-4-yl)-3-{[(4-brom-1H-pyrrol-2-yl)carbonyl]amino}propyl]-1H-imidazol-5-yl}-2-propen-1-yl]-4-brom-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-[(2E)-3-{2-Amino-4-[1-(2-amino-1H-imidazol-4-yl)-3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}propyl]-1H-imidazol-5-yl}-2-propen-1-yl]-4-bromo-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-[(2E)-3-{2-Amino-4-[1-(2-amino-1H-imidazol-4-yl)-3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}propyl]-1H-imidazol-5-yl}-2-propén-1-yl]-4-bromo-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
didebromonagelamide A

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.767
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.54
ACD/KOC (pH 7.4): 30.03
Polar Surface Area: 199 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 89.6±3.0 dyne/cm
Molar Volume: 349.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement