ChemSpider 2D Image | 3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)benzamide | C18H14ClN5O3

3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)benzamide

  • Molecular FormulaC18H14ClN5O3
  • Average mass383.789 Da
  • Monoisotopic mass383.078522 Da
  • ChemSpider ID24711440

More details:






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

3-({4-[(5-Chlor-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)benzamid [German] [ACD/IUPAC Name]
3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)benzamide [ACD/IUPAC Name]
3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl}amino)benzamide [French] [ACD/IUPAC Name]
3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE
Benzamide, 3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl]amino]- [ACD/Index Name]
3-({4-[(5-chloro-2H-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
7X8
945393-58-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 601.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.5±34.3 °C
Index of Refraction: 1.744
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 54.79
ACD/KOC (pH 5.5): 570.64
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.53
ACD/KOC (pH 7.4): 724.16
Polar Surface Area: 111 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 80.4±3.0 dyne/cm
Molar Volume: 249.8±3.0 cm3

Click to predict properties on the Chemicalize site






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