ChemSpider 2D Image | 4-(1-benzylpiperidin-4-ylamino)-2-(methylthio)pyrimidine-5-carboxylic acid | C18H22N4O2S

4-(1-benzylpiperidin-4-ylamino)-2-(methylthio)pyrimidine-5-carboxylic acid

  • Molecular FormulaC18H22N4O2S
  • Average mass358.458 Da
  • Monoisotopic mass358.146332 Da
  • ChemSpider ID21379621

More details:

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

1033194-54-5 [RN]
4-(1-benzylpiperidin-4-ylamino)-2-(methylthio)pyrimidine-5-carboxylic acid
[1033194-54-5] [RN]
1,3-Bis(1-phenylcyclopropyl)urea [ACD/IUPAC Name]
4-[(1-Benzylpiperidin-4-yl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
95%
MFCD11040503

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.6±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 5.79
ACD/KOC (pH 5.5): 23.08
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 5.22
ACD/KOC (pH 7.4): 20.80
Polar Surface Area: 104 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 270.0±5.0 cm3

Click to predict properties on the Chemicalize site


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