ChemSpider 2D Image | 4-({2-(4-Chlorophenyl)-6-[4-(4-morpholinylmethyl)-1-piperidinyl]-4-pyrimidinyl}amino)phenyl thiocyanate | C27H29ClN6OS

4-({2-(4-Chlorophenyl)-6-[4-(4-morpholinylmethyl)-1-piperidinyl]-4-pyrimidinyl}amino)phenyl thiocyanate

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID121518240

More details:

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

4-({2-(4-Chlorophenyl)-6-[4-(4-morpholinylmethyl)-1-piperidinyl]-4-pyrimidinyl}amino)phenyl thiocyanate [ACD/IUPAC Name]
4-({2-(4-Chlorphenyl)-6-[4-(4-morpholinylmethyl)-1-piperidinyl]-4-pyrimidinyl}amino)phenylthiocyanat [German] [ACD/IUPAC Name]
Thiocyanate de 4-({2-(4-chlorophényl)-6-[4-(4-morpholinylméthyl)-1-pipéridinyl]-4-pyrimidinyl}amino)phényle [French] [ACD/IUPAC Name]
Thiocyanic acid, 4-[[2-(4-chlorophenyl)-6-[4-(4-morpholinylmethyl)-1-piperidinyl]-4-pyrimidinyl]amino]phenyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.1±31.5 °C
Index of Refraction: 1.685
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 3.54
ACD/KOC (pH 5.5): 13.97
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1012.67
ACD/KOC (pH 7.4): 3996.88
Polar Surface Area: 103 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 380.2±5.0 cm3

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