ChemSpider 2D Image | 1-(2-{[4-(3-Chlorophenyl)-3-cyano-5-{2-[(3-hydroxyphenyl)amino]-4-pyrimidinyl}-2-thienyl]amino}ethyl)piperidinium | C28H28ClN6OS

1-(2-{[4-(3-Chlorophenyl)-3-cyano-5-{2-[(3-hydroxyphenyl)amino]-4-pyrimidinyl}-2-thienyl]amino}ethyl)piperidinium

  • Molecular FormulaC28H28ClN6OS
  • Average mass532.079 Da
  • Monoisotopic mass531.172852 Da
  • ChemSpider ID34974482

  • Charge - Charge

More details:

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

1-(2-{[4-(3-Chlorophenyl)-3-cyano-5-{2-[(3-hydroxyphenyl)amino]-4-pyrimidinyl}-2-thienyl]amino}ethyl)piperidinium [ACD/IUPAC Name]
1-(2-{[4-(3-Chlorophényl)-3-cyano-5-{2-[(3-hydroxyphényl)amino]-4-pyrimidinyl}-2-thiényl]amino}éthyl)pipéridinium [French] [ACD/IUPAC Name]
1-(2-{[4-(3-Chlorphenyl)-3-cyan-5-{2-[(3-hydroxyphenyl)amino]-4-pyrimidinyl}-2-thienyl]amino}ethyl)piperidinium [German] [ACD/IUPAC Name]
3-Thiophenecarbonitrile, 4-(3-chlorophenyl)-5-[2-[(3-hydroxyphenyl)amino]-4-pyrimidinyl]-2-[[2-(1-piperidinyl)ethyl]amino]-, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 747.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 405.7±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 10.24
ACD/KOC (pH 5.5): 27.39
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 283.12
ACD/KOC (pH 7.4): 757.37
Polar Surface Area: 127 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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