ChemSpider 2D Image | N-(3,4-Dimethoxybenzyl)-4-(4-fluorophenyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide | C24H21FN2O3S

N-(3,4-Dimethoxybenzyl)-4-(4-fluorophenyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide

  • Molecular FormulaC24H21FN2O3S
  • Average mass436.499 Da
  • Monoisotopic mass436.125702 Da
  • ChemSpider ID25184951

More details:

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

2-Thiophenecarboxamide, N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3-(1H-pyrrol-1-yl)- [ACD/Index Name]
N-(3,4-Dimethoxybenzyl)-4-(4-fluorophenyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-(3,4-Diméthoxybenzyl)-4-(4-fluorophényl)-3-(1H-pyrrol-1-yl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-(3,4-Dimethoxybenzyl)-4-(4-fluorphenyl)-3-(1H-pyrrol-1-yl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
1207038-86-5 [RN]
4-(4-Fluoro-phenyl)-3-pyrrol-1-yl-thiophene-2-carboxylic acid 3,4-dimethoxy-benzylamide
MFCD16639082
N-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.0±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 120.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1114.79
ACD/KOC (pH 5.5): 5281.43
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1094.97
ACD/KOC (pH 7.4): 5187.54
Polar Surface Area: 81 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 346.0±7.0 cm3

Click to predict properties on the Chemicalize site


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