ChemSpider 2D Image | N-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-bromo-3-isopropyl-1H-pyrazole-5-carboxamide | C16H16BrN5OS2

N-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-bromo-3-isopropyl-1H-pyrazole-5-carboxamide

  • Molecular FormulaC16H16BrN5OS2
  • Average mass438.365 Da
  • Monoisotopic mass436.997955 Da
  • ChemSpider ID34074257

More details:

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

1H-Pyrazole-5-carboxamide, 4-bromo-3-(1-methylethyl)-N-[5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
N-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-brom-3-isopropyl-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-bromo-3-isopropyl-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
N-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-bromo-3-isopropyl-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC 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: 1.695
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 534.73
ACD/KOC (pH 5.5): 3118.88
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 425.80
ACD/KOC (pH 7.4): 2483.50
Polar Surface Area: 137 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 271.2±5.0 cm3

Click to predict properties on the Chemicalize site


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