ChemSpider 2D Image | N-{2-[4-(4-Acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-3-chloro-1-benzothiophene-2-carboxamide | C23H21ClFN3O3S

N-{2-[4-(4-Acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-3-chloro-1-benzothiophene-2-carboxamide

  • Molecular FormulaC23H21ClFN3O3S
  • Average mass473.948 Da
  • Monoisotopic mass473.097626 Da
  • ChemSpider ID31050856

More details:

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

Benzo[b]thiophene-2-carboxamide, N-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-3-chloro- [ACD/Index Name]
N-{2-[4-(4-Acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-3-chloro-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-{2-[4-(4-Acétyl-2-fluorophényl)-1-pipérazinyl]-2-oxoéthyl}-3-chloro-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
N-{2-[4-(4-Acetyl-2-fluorphenyl)-1-piperazinyl]-2-oxoethyl}-3-chlor-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-{2-[4-(4-ACETYL-2-FLUOROPHENYL)PIPERAZIN-1-YL]-2-OXOETHYL}-3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 734.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.2±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 123.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.85
ACD/KOC (pH 5.5): 1810.77
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 249.85
ACD/KOC (pH 7.4): 1810.74
Polar Surface Area: 98 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 340.0±3.0 cm3

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