ChemSpider 2D Image | 5-[(4-tert-Butylbenzyl)(2-furylmethyl)amino]-N-(2-chlorophenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide | C28H29ClN4O4S

5-[(4-tert-Butylbenzyl)(2-furylmethyl)amino]-N-(2-chlorophenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide

  • Molecular FormulaC28H29ClN4O4S
  • Average mass553.072 Da
  • Monoisotopic mass552.159790 Da
  • ChemSpider ID12262960

More details:

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

4-Pyrimidinecarboxamide, N-(2-chlorophenyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl](2-furanylmethyl)amino]-2-(methylsulfonyl)- [ACD/Index Name]
5-[(4-tert-Butylbenzyl)(2-furylmethyl)amino]-N-(2-chlorophenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide
N-(2-Chlorophenyl)-5-{(2-furylmethyl)[4-(2-methyl-2-propanyl)benzyl]amino}-2-(methylsulfonyl)-4-pyrimidinecarboxamide [ACD/IUPAC Name]
N-(2-Chlorophényl)-5-{(2-furylméthyl)[4-(2-méthyl-2-propanyl)benzyl]amino}-2-(méthylsulfonyl)-4-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
N-(2-Chlorphenyl)-5-{(2-furylmethyl)[4-(2-methyl-2-propanyl)benzyl]amino}-2-(methylsulfonyl)-4-pyrimidincarboxamid [German] [ACD/IUPAC Name]
[5-({[4-(tert-butyl)phenyl]methyl}(2-furylmethyl)amino)-2-(methylsulfonyl)pyrimidin-4-yl]-N-(2-chlorophenyl)carboxamide
5-[(4-tert-butylbenzyl)(furan-2-ylmethyl)amino]-N-(2-chlorophenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide
5-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide
5-{[(4-tert-butylphenyl)methyl][(furan-2-yl)methyl]amino}-N-(2-chlorophenyl)-2-methanesulfonylpyrimidine-4-carboxamide

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: 1.624
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4197.66
ACD/KOC (pH 5.5): 13643.62
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4165.37
ACD/KOC (pH 7.4): 13538.67
Polar Surface Area: 114 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 417.4±3.0 cm3

Click to predict properties on the Chemicalize site


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