ChemSpider 2D Image | 2-{[5-(4-Chlorophenyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide | C27H29ClN6O3S

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

  • Molecular FormulaC27H29ClN6O3S
  • Average mass553.076 Da
  • Monoisotopic mass552.171021 Da
  • ChemSpider ID3824163

More details:

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

2-{[5-(4-Chlorophenyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide [ACD/IUPAC Name]
2-{[5-(4-Chlorophényl)-4-(tétrahydro-2-furanylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)propanamide [French] [ACD/IUPAC Name]
2-{[5-(4-Chlorphenyl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamid [German] [ACD/IUPAC Name]
Propanamide, 2-[[5-(4-chlorophenyl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 150.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 207.29
ACD/KOC (pH 5.5): 1584.21
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 207.26
ACD/KOC (pH 7.4): 1583.96
Polar Surface Area: 118 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 392.8±7.0 cm3

Click to predict properties on the Chemicalize site


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