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Search term: RQIDBYJDMXKKMQ-QHCPKHFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1R)-N~2~-[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]-1-phenyl-N~1~-[4-(2-thienyl)butyl]-1,2-ethanediamine | C26H27Cl2N5S

(1R)-N2-[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]-1-phenyl-N1-[4-(2-thienyl)butyl]-1,2-ethanediamine

  • Molecular FormulaC26H27Cl2N5S
  • Average mass512.497 Da
  • Monoisotopic mass511.136414 Da
  • ChemSpider ID30828977

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-N2-[5-Chlor-2-(5-chlor-2-pyridinyl)-6-methyl-4-pyrimidinyl]-1-phenyl-N1-[4-(2-thienyl)butyl]-1,2-ethandiamin [German] [ACD/IUPAC Name]
(1R)-N2-[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]-1-phenyl-N1-[4-(2-thienyl)butyl]-1,2-ethanediamine [ACD/IUPAC Name]
(1R)-N2-[5-Chloro-2-(5-chloro-2-pyridinyl)-6-méthyl-4-pyrimidinyl]-1-phényl-N1-[4-(2-thiényl)butyl]-1,2-éthanediamine [French] [ACD/IUPAC Name]
1,2-Ethanediamine, N2-[5-chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]-1-phenyl-N1-[4-(2-thienyl)butyl]-, (1R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 617.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.1±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 75.29
ACD/KOC (pH 5.5): 128.59
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 3200.97
ACD/KOC (pH 7.4): 5466.91
Polar Surface Area: 91 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 397.0±3.0 cm3

Click to predict properties on the Chemicalize site


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