ChemSpider 2D Image | 4-Bromo-N'-{[(1s,3s,5R,7S)-3-bromoadamantan-1-yl]acetyl}-1-methyl-1H-pyrrole-2-carbohydrazide | C18H23Br2N3O2

4-Bromo-N'-{[(1s,3s,5R,7S)-3-bromoadamantan-1-yl]acetyl}-1-methyl-1H-pyrrole-2-carbohydrazide

  • Molecular FormulaC18H23Br2N3O2
  • Average mass473.202 Da
  • Monoisotopic mass471.015686 Da
  • ChemSpider ID62389567

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-bromo-1-methyl-, 2-[2-[(5R,7S)-3-bromotricyclo[3.3.1.13,7]dec-1-yl]acetyl]hydrazide [ACD/Index Name]
4-Brom-N'-{[(1s,3s,5R,7S)-3-bromadamantan-1-yl]acetyl}-1-methyl-1H-pyrrol-2-carbohydrazid [German] [ACD/IUPAC Name]
4-Bromo-N'-{[(1s,3s,5R,7S)-3-bromoadamantan-1-yl]acetyl}-1-methyl-1H-pyrrole-2-carbohydrazide [ACD/IUPAC Name]
4-Bromo-N'-{2-[(1s,3s,5R,7S)-3-bromoadamantan-1-yl]acétyl}-1-méthyl-1H-pyrrole-2-carbohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 629.3±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.4±30.9 °C
Index of Refraction: 1.731
Molar Refractivity: 103.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 244.20
ACD/KOC (pH 5.5): 1781.35
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 244.07
ACD/KOC (pH 7.4): 1780.46
Polar Surface Area: 63 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 258.0±7.0 cm3

Click to predict properties on the Chemicalize site


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