ChemSpider 2D Image | N-(2,4-Dibromophenyl)-2-{[5-oxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}propanamide | C16H18Br2N4O3S

N-(2,4-Dibromophenyl)-2-{[5-oxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}propanamide

  • Molecular FormulaC16H18Br2N4O3S
  • Average mass506.212 Da
  • Monoisotopic mass503.946625 Da
  • ChemSpider ID103750290

More details:

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

N-(2,4-Dibromophenyl)-2-{[5-oxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}propanamide [ACD/IUPAC Name]
N-(2,4-Dibromophényl)-2-{[5-oxo-4-(tétrahydro-2-furanylméthyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}propanamide [French] [ACD/IUPAC Name]
N-(2,4-Dibromphenyl)-2-{[5-oxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}propanamid [German] [ACD/IUPAC Name]
Propanamide, N-(2,4-dibromophenyl)-2-[[4,5-dihydro-5-oxo-4-[(tetrahydro-2-furanyl)methyl]-1H-1,2,4-triazol-3-yl]thio]- [ACD/Index 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: 1.731
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 47.55
ACD/KOC (pH 5.5): 534.15
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 5.36
ACD/KOC (pH 7.4): 60.24
Polar Surface Area: 108 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 269.3±7.0 cm3

Click to predict properties on the Chemicalize site


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