ChemSpider 2D Image | N~2~-{[2-(Benzylsulfanyl)-5-chloro-4-pyrimidinyl]carbonyl}-N-(4-methoxyphenyl)leucinamide | C25H27ClN4O3S

N2-{[2-(Benzylsulfanyl)-5-chloro-4-pyrimidinyl]carbonyl}-N-(4-methoxyphenyl)leucinamide

  • Molecular FormulaC25H27ClN4O3S
  • Average mass499.025 Da
  • Monoisotopic mass498.149231 Da
  • ChemSpider ID24758864

More details:

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

4-Pyrimidinecarboxamide, 5-chloro-N-[1-[[(4-methoxyphenyl)amino]carbonyl]-3-methylbutyl]-2-[(phenylmethyl)thio]- [ACD/Index Name]
N2-{[2-(Benzylsulfanyl)-5-chlor-4-pyrimidinyl]carbonyl}-N-(4-methoxyphenyl)leucinamid [German] [ACD/IUPAC Name]
N2-{[2-(Benzylsulfanyl)-5-chloro-4-pyrimidinyl]carbonyl}-N-(4-methoxyphenyl)leucinamide [ACD/IUPAC Name]
N2-{[2-(Benzylsulfanyl)-5-chloro-4-pyrimidinyl]carbonyl}-N-(4-méthoxyphényl)leucinamide [French] [ACD/IUPAC Name]
2-{[2-(benzylsulfanyl)-5-chloropyrimidin-4-yl]formamido}-N-(4-methoxyphenyl)-4-methylpentanamide
2-{[5-chloro-2-(phenylmethylthio)pyrimidin-4-yl]carbonylamino}-N-(4-methoxyphenyl)-4-methylpentanamide
2-benzylsulfanyl-5-chloro-N-[1-(4-methoxyanilino)-4-methyl-1-oxopentan-2-yl]pyrimidine-4-carboxamide
N2-{[2-(benzylsulfanyl)-5-chloropyrimidin-4-yl]carbonyl}-N-(4-methoxyphenyl)leucinamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 396.1±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2746.74
ACD/KOC (pH 5.5): 10071.37
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2735.90
ACD/KOC (pH 7.4): 10031.62
Polar Surface Area: 119 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 381.7±5.0 cm3

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