ChemSpider 2D Image | (2E)-3-(4-Isopropylphenyl)-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonothioyl)acrylamide | C24H25F3N4O3S

(2E)-3-(4-Isopropylphenyl)-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonothioyl)acrylamide

  • Molecular FormulaC24H25F3N4O3S
  • Average mass506.540 Da
  • Monoisotopic mass506.159943 Da
  • ChemSpider ID12811673

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Isopropylphenyl)-N-({4-[2-nitro-4-(trifluormethyl)phenyl]-1-piperazinyl}carbonothioyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-3-(4-Isopropylphenyl)-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonothioyl)acrylamide [ACD/IUPAC Name]
(2E)-3-(4-Isopropylphényl)-N-({4-[2-nitro-4-(trifluorométhyl)phényl]-1-pipérazinyl}carbonothioyl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[4-(1-methylethyl)phenyl]-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]thioxomethyl]-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6119.75
ACD/KOC (pH 5.5): 17870.29
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6104.16
ACD/KOC (pH 7.4): 17824.74
Polar Surface Area: 113 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 378.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement