ChemSpider 2D Image | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | C18H15ClN4O4S

N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine

  • Molecular FormulaC18H15ClN4O4S
  • Average mass418.854 Da
  • Monoisotopic mass418.050262 Da
  • ChemSpider ID23315020

More details:

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

2,4-Pyrimidinediamine, N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-[3-(methylsulfonyl)phenyl]- [ACD/Index Name]
N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
N4-(5-Chlor-1,3-benzodioxol-4-yl)-N2-[3-(methylsulfonyl)phenyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N4-(5-Chloro-1,3-benzodioxol-4-yl)-N2-[3-(methylsulfonyl)phenyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
N4-(5-Chloro-1,3-benzodioxol-4-yl)-N2-[3-(méthylsulfonyl)phényl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine
4-N-(5-chloro-2H-1,3-benzodioxol-4-yl)-2-N-(3-methanesulfonylphenyl)pyrimidine-2,4-diamine
7X5
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL445162/
N4-(5-chloro-2H-1,3-benzodioxol-4-yl)-N2-(3-methanesulfonylphenyl)pyrimidine-2,4-diamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 640.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.4±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 70.60
ACD/KOC (pH 5.5): 701.64
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.07
ACD/KOC (pH 7.4): 815.73
Polar Surface Area: 111 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 73.8±3.0 dyne/cm
Molar Volume: 272.9±3.0 cm3

Click to predict properties on the Chemicalize site


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