Found 15 results

Search term: MF = 'C_{29}H_{33}F_{3}N_{6}O_{4}S'
ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{4-[(Z)-{[5-({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-2-furoyl]hydrazono}methyl]benzyl}-1-piperazinecarboxylate | C29H33F3N6O4S

2-Methyl-2-propanyl 4-{4-[(Z)-{[5-({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-2-furoyl]hydrazono}methyl]benzyl}-1-piperazinecarboxylate

  • Molecular FormulaC29H33F3N6O4S
  • Average mass618.670 Da
  • Monoisotopic mass618.223633 Da
  • ChemSpider ID101107747

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxylic acid, 4-[[4-[(Z)-[2-[[5-[[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-2-furanyl]carbonyl]hydrazinylidene]methyl]phenyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{4-[(Z)-{[5-({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-2-furoyl]hydrazono}methyl]benzyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{4-[(Z)-{[5-({[4-methyl-6-(trifluormethyl)-2-pyrimidinyl]sulfanyl}methyl)-2-furoyl]hydrazono}methyl]benzyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{4-[(Z)-{[5-({[4-Méthyl-6-(trifluorométhyl)-2-pyrimidinyl]sulfanyl}méthyl)-2-furoyl]hydrazono}méthyl]benzyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 158.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 334.00
ACD/KOC (pH 5.5): 1739.15
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 785.87
ACD/KOC (pH 7.4): 4092.02
Polar Surface Area: 138 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 462.8±7.0 cm3

Click to predict properties on the Chemicalize site


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