ChemSpider 2D Image | (4E)-4-[(4-{[(4-Chlorophenyl)sulfanyl]methyl}benzoyl)hydrazono]-4-[4-(2-methyl-2-propanyl)phenyl]butanoic acid | C28H29ClN2O3S

(4E)-4-[(4-{[(4-Chlorophenyl)sulfanyl]methyl}benzoyl)hydrazono]-4-[4-(2-methyl-2-propanyl)phenyl]butanoic acid

  • Molecular FormulaC28H29ClN2O3S
  • Average mass509.060 Da
  • Monoisotopic mass508.158752 Da
  • ChemSpider ID4901912

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[(4-{[(4-Chlorophenyl)sulfanyl]methyl}benzoyl)hydrazono]-4-[4-(2-methyl-2-propanyl)phenyl]butanoic acid [ACD/IUPAC Name]
(4E)-4-[(4-{[(4-Chlorphenyl)sulfanyl]methyl}benzoyl)hydrazono]-4-[4-(2-methyl-2-propanyl)phenyl]butansäure [German] [ACD/IUPAC Name]
Acide (4E)-4-[(4-{[(4-chlorophényl)sulfanyl]méthyl}benzoyl)hydrazono]-4-[4-(2-méthyl-2-propanyl)phényl]butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, γ-[2-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]hydrazinylidene]-4-(1,1-dimethylethyl)-, (γE)- [ACD/Index Name]
(4E)-4-(4-TERT-BUTYLPHENYL)-4-{[(4-{[(4-CHLOROPHENYL)SULFANYL]METHYL}PHENYL)FORMAMIDO]IMINO}BUTANOIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 145.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 3685.35
ACD/KOC (pH 5.5): 5164.35
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 62.79
ACD/KOC (pH 7.4): 87.99
Polar Surface Area: 104 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 425.1±7.0 cm3

Click to predict properties on the Chemicalize site


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