ChemSpider 2D Image | Ethyl 4-oxo-1,3-diphenyl-6-((3-(1-piperidinyl)propyl)thio)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C27H31N3O3S2

Ethyl 4-oxo-1,3-diphenyl-6-((3-(1-piperidinyl)propyl)thio)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC27H31N3O3S2
  • Average mass509.683 Da
  • Monoisotopic mass509.180695 Da
  • ChemSpider ID333568

More details:

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

4-Oxo-1,3-diphényl-6-{[3-(1-pipéridinyl)propyl]sulfanyl}-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-1,3-diphenyl-6-[[3-(1-piperidinyl)propyl]thio]-2-thioxo-, ethyl ester [ACD/Index Name]
Ethyl 4-oxo-1,3-diphenyl-6-((3-(1-piperidinyl)propyl)thio)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Ethyl 4-oxo-1,3-diphenyl-6-{[3-(1-piperidinyl)propyl]sulfanyl}-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-oxo-1,3-diphenyl-6-{[3-(1-piperidinyl)propyl]sulfanyl}-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

AIDS141298 [DBID]
AIDS-141298 [DBID]
NCI60_019547 [DBID]
NSC656435 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 616.8±65.0 °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: 326.8±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.70
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 4.71
ACD/KOC (pH 7.4): 27.97
Polar Surface Area: 110 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 387.3±5.0 cm3

Click to predict properties on the Chemicalize site


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