ChemSpider 2D Image | 1-(4-Bromo-2,6-dimethylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea | C15H18BrN5O

1-(4-Bromo-2,6-dimethylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea

  • Molecular FormulaC15H18BrN5O
  • Average mass364.240 Da
  • Monoisotopic mass363.069458 Da
  • ChemSpider ID30726744

More details:

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

1-(4-Brom-2,6-dimethylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)harnstoff [German] [ACD/IUPAC Name]
1-(4-Bromo-2,6-dimethylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea [ACD/IUPAC Name]
1-(4-Bromo-2,6-diméthylphényl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylméthyl)urée [French] [ACD/IUPAC Name]
Urea, N-(4-bromo-2,6-dimethylphenyl)-N'-[(6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazol-3-yl)methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 88.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.43
ACD/KOC (pH 5.5): 662.67
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.61
ACD/KOC (pH 7.4): 664.67
Polar Surface Area: 72 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 226.3±7.0 cm3

Click to predict properties on the Chemicalize site


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