ChemSpider 2D Image | 3-Chloro-N-[2-(diethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide | C22H25ClN2OS

3-Chloro-N-[2-(diethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide

  • Molecular FormulaC22H25ClN2OS
  • Average mass400.965 Da
  • Monoisotopic mass400.137604 Da
  • ChemSpider ID21661949

More details:






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

3-Chlor-N-[2-(diethylamino)-2-phenylethyl]-6-methyl-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
3-Chloro-N-[2-(diethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
3-Chloro-N-[2-(diéthylamino)-2-phényléthyl]-6-méthyl-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[2-(diethylamino)-2-phenylethyl]-6-methyl- [ACD/Index Name]
942883-52-5 [RN]
N-[2-(diethylamino)-2-phenylethyl](3-chloro-6-methylbenzo[b]thiophen-2-yl)carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 558.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.2±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 17.26
ACD/KOC (pH 5.5): 45.23
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 747.08
ACD/KOC (pH 7.4): 1957.89
Polar Surface Area: 61 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 332.8±3.0 cm3

Click to predict properties on the Chemicalize site






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