ChemSpider 2D Image | N-(3,4-Dichlorobenzyl)-3-(2-fluoro-4-methyl-5-pyrimidinyl)-5-[(2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl]-N-methylbenzamide | C25H23Cl2FN6O

N-(3,4-Dichlorobenzyl)-3-(2-fluoro-4-methyl-5-pyrimidinyl)-5-[(2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl]-N-methylbenzamide

  • Molecular FormulaC25H23Cl2FN6O
  • Average mass513.394 Da
  • Monoisotopic mass512.129456 Da
  • ChemSpider ID129081526

More details:

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

Benzamide, N-[(3,4-dichlorophenyl)methyl]-3-[(2,3-dihydro-2-imino-3-methyl-1H-imidazol-1-yl)methyl]-5-(2-fluoro-4-methyl-5-pyrimidinyl)-N-methyl- [ACD/Index Name]
N-(3,4-Dichlorbenzyl)-3-(2-fluor-4-methyl-5-pyrimidinyl)-5-[(2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl]-N-methylbenzamid [German] [ACD/IUPAC Name]
N-(3,4-Dichlorobenzyl)-3-(2-fluoro-4-methyl-5-pyrimidinyl)-5-[(2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl]-N-methylbenzamide [ACD/IUPAC Name]
N-(3,4-Dichlorobenzyl)-3-(2-fluoro-4-méthyl-5-pyrimidinyl)-5-[(2-imino-3-méthyl-2,3-dihydro-1H-imidazol-1-yl)méthyl]-N-méthylbenzamide [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: 707.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.9±35.7 °C
Index of Refraction: 1.650
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 26.23
ACD/KOC (pH 5.5): 269.48
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 71.56
ACD/KOC (pH 7.4): 735.15
Polar Surface Area: 76 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 375.3±7.0 cm3

Click to predict properties on the Chemicalize site


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