ChemSpider 2D Image | N-Benzyl-4-[3-({[(E)-2-(5-chloro-2-thienyl)vinyl]sulfonyl}amino)-2-oxo-1-pyrrolidinyl]-3-fluoro-N-methylbenzamide | C25H23ClFN3O4S2

N-Benzyl-4-[3-({[(E)-2-(5-chloro-2-thienyl)vinyl]sulfonyl}amino)-2-oxo-1-pyrrolidinyl]-3-fluoro-N-methylbenzamide

  • Molecular FormulaC25H23ClFN3O4S2
  • Average mass548.049 Da
  • Monoisotopic mass547.080261 Da
  • ChemSpider ID9516764

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, 4-[3-[[[(E)-2-(5-chloro-2-thienyl)ethenyl]sulfonyl]amino]-2-oxo-1-pyrrolidinyl]-3-fluoro-N-methyl-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-4-[3-({[(E)-2-(5-chlor-2-thienyl)vinyl]sulfonyl}amino)-2-oxo-1-pyrrolidinyl]-3-fluor-N-methylbenzamid [German] [ACD/IUPAC Name]
N-Benzyl-4-[3-({[(E)-2-(5-chloro-2-thienyl)vinyl]sulfonyl}amino)-2-oxo-1-pyrrolidinyl]-3-fluoro-N-methylbenzamide [ACD/IUPAC Name]
N-Benzyl-4-[3-({[(E)-2-(5-chloro-2-thiényl)vinyl]sulfonyl}amino)-2-oxo-1-pyrrolidinyl]-3-fluoro-N-méthylbenzamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 810.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 443.7±37.1 °C
Index of Refraction: 1.678
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 302.63
ACD/KOC (pH 5.5): 2076.94
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 300.03
ACD/KOC (pH 7.4): 2059.14
Polar Surface Area: 123 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 369.3±5.0 cm3

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