ChemSpider 2D Image | N-{(2E)-3-[2-Amino-5'-(3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-2-methoxypropyl)-2'-oxo-2',3'-dihydro-1H,1'H-4,4'-biimidazol-5-yl]-2-propen-1-yl}-4-bromo-1H-pyrrole-2-carboxamide | C23H25Br2N9O4

N-{(2E)-3-[2-Amino-5'-(3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-2-methoxypropyl)-2'-oxo-2',3'-dihydro-1H,1'H-4,4'-biimidazol-5-yl]-2-propen-1-yl}-4-bromo-1H-pyrrole-2-carboxamide

  • Molecular FormulaC23H25Br2N9O4
  • Average mass651.310 Da
  • Monoisotopic mass649.039612 Da
  • ChemSpider ID40256898

  • 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-5'-[3-[[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino]-2-methoxypropyl]-2',3'-dihydro-2'-oxo[4,4'-bi-1H-imidazol]-5-yl]-2-propen-1-yl]-4-bromo- [ACD/Index Name]
N-{(2E)-3-[2-Amino-5'-(3-{[(4-brom-1H-pyrrol-2-yl)carbonyl]amino}-2-methoxypropyl)-2'-oxo-2',3'-dihydro-1H,1'H-4,4'-biimidazol-5-yl]-2-propen-1-yl}-4-brom-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-{(2E)-3-[2-Amino-5'-(3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-2-methoxypropyl)-2'-oxo-2',3'-dihydro-1H,1'H-4,4'-biimidazol-5-yl]-2-propen-1-yl}-4-bromo-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-{(2E)-3-[2-Amino-5'-(3-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}-2-méthoxypropyl)-2'-oxo-2',3'-dihydro-1H,1'H-4,4'-biimidazol-5-yl]-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: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 148.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.21
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 3.86
ACD/KOC (pH 7.4): 46.54
Polar Surface Area: 195 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 75.8±3.0 dyne/cm
Molar Volume: 381.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement