ChemSpider 2D Image | Tert-Butyl 4-({(2-{(4-Cyanophenyl)[(1-Methyl-1h-Imidazol-5-Yl)methyl]amino}ethyl)[(2-Methylphenyl)sulfonyl]amino}methyl)piperidine-1-Carboxylate | C32H42N6O4S

Tert-Butyl 4-({(2-{(4-Cyanophenyl)[(1-Methyl-1h-Imidazol-5-Yl)methyl]amino}ethyl)[(2-Methylphenyl)sulfonyl]amino}methyl)piperidine-1-Carboxylate

  • Molecular FormulaC32H42N6O4S
  • Average mass606.779 Da
  • Monoisotopic mass606.298828 Da
  • ChemSpider ID25057325

More details:

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

1-Piperidinecarboxylic acid, 4-[[[2-[(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]ethyl][(2-methylphenyl)sulfonyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({(2-{(4-cyanphenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-({(2-{(4-Cyanophényl)[(1-méthyl-1H-imidazol-5-yl)méthyl]amino}éthyl)[(2-méthylphényl)sulfonyl]amino}méthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Tert-Butyl 4-({(2-{(4-Cyanophenyl)[(1-Methyl-1h-Imidazol-5-Yl)methyl]amino}ethyl)[(2-Methylphenyl)sulfonyl]amino}methyl)piperidine-1-Carboxylate
ED5
ethylenediamine scaffold, 5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 812.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 445.3±37.1 °C
Index of Refraction: 1.602
Molar Refractivity: 172.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 222.19
ACD/KOC (pH 5.5): 779.47
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2727.31
ACD/KOC (pH 7.4): 9567.79
Polar Surface Area: 120 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 502.4±7.0 cm3

Click to predict properties on the Chemicalize site


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