ChemSpider 2D Image | 1-(4-{[2-({(2-Thienylmethyl)[3-(trifluoromethyl)benzyl]amino}methyl)-1,3-oxazol-4-yl]carbonyl}-1-piperazinyl)ethanone | C24H25F3N4O3S

1-(4-{[2-({(2-Thienylmethyl)[3-(trifluoromethyl)benzyl]amino}methyl)-1,3-oxazol-4-yl]carbonyl}-1-piperazinyl)ethanone

  • Molecular FormulaC24H25F3N4O3S
  • Average mass506.540 Da
  • Monoisotopic mass506.159943 Da
  • ChemSpider ID22674538

More details:

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

1-(4-{[2-({(2-Thienylmethyl)[3-(trifluormethyl)benzyl]amino}methyl)-1,3-oxazol-4-yl]carbonyl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{[2-({(2-Thienylmethyl)[3-(trifluoromethyl)benzyl]amino}methyl)-1,3-oxazol-4-yl]carbonyl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
1-(4-{[2-({(2-Thiénylméthyl)[3-(trifluorométhyl)benzyl]amino}méthyl)-1,3-oxazol-4-yl]carbonyl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[[2-[[(2-thienylmethyl)[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-oxazolyl]carbonyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.4±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 29.97
ACD/KOC (pH 5.5): 384.24
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.52
ACD/KOC (pH 7.4): 429.75
Polar Surface Area: 98 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 373.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement