ChemSpider 2D Image | Methyl 4-(3-{4-[(Z)-{[5-({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-2-furoyl]hydrazono}methyl]phenoxy}propoxy)benzoate | C30H27F3N4O6S

Methyl 4-(3-{4-[(Z)-{[5-({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-2-furoyl]hydrazono}methyl]phenoxy}propoxy)benzoate

  • Molecular FormulaC30H27F3N4O6S
  • Average mass628.619 Da
  • Monoisotopic mass628.160339 Da
  • ChemSpider ID101107833

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Furancarboxylic acid, 5-[[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-, 2-[(1Z)-[4-[3-[4-(methoxycarbonyl)phenoxy]propoxy]phenyl]methylene]hydrazide [ACD/Index Name]
4-(3-{4-[(Z)-{[5-({[4-Méthyl-6-(trifluorométhyl)-2-pyrimidinyl]sulfanyl}méthyl)-2-furoyl]hydrazono}méthyl]phénoxy}propoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(3-{4-[(Z)-{[5-({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-2-furoyl]hydrazono}methyl]phenoxy}propoxy)benzoate [ACD/IUPAC Name]
Methyl-4-(3-{4-[(Z)-{[5-({[4-methyl-6-(trifluormethyl)-2-pyrimidinyl]sulfanyl}methyl)-2-furoyl]hydrazono}methyl]phenoxy}propoxy)benzoat [German] [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: 1.591
Molar Refractivity: 157.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4054.57
ACD/KOC (pH 5.5): 13309.46
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4054.34
ACD/KOC (pH 7.4): 13308.70
Polar Surface Area: 150 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 466.6±7.0 cm3

Click to predict properties on the Chemicalize site


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