ChemSpider 2D Image | 3-Chloro-6-ethyl-N'-{(Z)-[4-(1-pyrrolidinyl)-3-(trifluoromethyl)phenyl]methylene}-1-benzothiophene-2-carbohydrazide | C23H21ClF3N3OS

3-Chloro-6-ethyl-N'-{(Z)-[4-(1-pyrrolidinyl)-3-(trifluoromethyl)phenyl]methylene}-1-benzothiophene-2-carbohydrazide

  • Molecular FormulaC23H21ClF3N3OS
  • Average mass479.945 Da
  • Monoisotopic mass479.104584 Da
  • ChemSpider ID103079054

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Chlor-6-ethyl-N'-{(Z)-[4-(1-pyrrolidinyl)-3-(trifluormethyl)phenyl]methylen}-1-benzothiophen-2-carbohydrazid [German] [ACD/IUPAC Name]
3-Chloro-6-ethyl-N'-{(Z)-[4-(1-pyrrolidinyl)-3-(trifluoromethyl)phenyl]methylene}-1-benzothiophene-2-carbohydrazide [ACD/IUPAC Name]
3-Chloro-6-éthyl-N'-{(Z)-[4-(1-pyrrolidinyl)-3-(trifluorométhyl)phényl]méthylène}-1-benzothiophène-2-carbohydrazide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-ethyl-, 2-[(1Z)-[4-(1-pyrrolidinyl)-3-(trifluoromethyl)phenyl]methylene]hydrazide [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: 1.627
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 60595.94
ACD/KOC (pH 5.5): 92170.91
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 60695.89
ACD/KOC (pH 7.4): 92322.94
Polar Surface Area: 73 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 343.0±7.0 cm3

Click to predict properties on the Chemicalize site


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