ChemSpider 2D Image | 2-[3-(4-Chlorobenzyl)-4-[(3-fluoro-4-isopropoxyphenyl)amino]-2,6-dioxo-3,6-dihydro-1,3,5-triazin-1(2H)-yl]acetamide | C21H21ClFN5O4

2-[3-(4-Chlorobenzyl)-4-[(3-fluoro-4-isopropoxyphenyl)amino]-2,6-dioxo-3,6-dihydro-1,3,5-triazin-1(2H)-yl]acetamide

  • Molecular FormulaC21H21ClFN5O4
  • Average mass461.874 Da
  • Monoisotopic mass461.126617 Da
  • ChemSpider ID61720633

More details:

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

1,3,5-Triazine-1(2H)-acetamide, 3-[(4-chlorophenyl)methyl]-4-[[3-fluoro-4-(1-methylethoxy)phenyl]amino]-3,6-dihydro-2,6-dioxo- [ACD/Index Name]
2-[3-(4-Chlorbenzyl)-4-[(3-fluor-4-isopropoxyphenyl)amino]-2,6-dioxo-3,6-dihydro-1,3,5-triazin-1(2H)-yl]acetamid [German] [ACD/IUPAC Name]
2-[3-(4-Chlorobenzyl)-4-[(3-fluoro-4-isopropoxyphenyl)amino]-2,6-dioxo-3,6-dihydro-1,3,5-triazin-1(2H)-yl]acetamide [ACD/IUPAC Name]
2-[3-(4-Chlorobenzyl)-4-[(3-fluoro-4-isopropoxyphényl)amino]-2,6-dioxo-3,6-dihydro-1,3,5-triazin-1(2H)-yl]acétamide [French] [ACD/IUPAC 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: 620.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.1±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 115.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.46
ACD/KOC (pH 5.5): 258.42
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.46
ACD/KOC (pH 7.4): 258.42
Polar Surface Area: 117 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 321.4±7.0 cm3

Click to predict properties on the Chemicalize site


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