Found 74 results

Search term: MF = 'C_{30}H_{28}N_{2}O_{4}S_{2}'
ChemSpider 2D Image | Ethyl 6-((4-tert-butylbenzoyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C30H28N2O4S2

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

  • Molecular FormulaC30H28N2O4S2
  • Average mass544.684 Da
  • Monoisotopic mass544.149048 Da
  • ChemSpider ID339407

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[4-(1,1-dimethylethyl)benzoyl]thio]-1,2,3,4-tetrahydro-4-oxo-1,3-diphenyl-2-thioxo-, ethyl ester [ACD/Index Name]
6-{[4-(2-Méthyl-2-propanyl)benzoyl]sulfanyl}-4-oxo-1,3-diphényl-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-((4-tert-butylbenzoyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Ethyl 6-{[4-(2-methyl-2-propanyl)benzoyl]sulfanyl}-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[4-(2-methyl-2-propanyl)benzoyl]sulfanyl}-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

AIDS145714 [DBID]
AIDS-145714 [DBID]
NCI60_025067 [DBID]
NSC671115 [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: 630.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 335.1±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7266.57
ACD/KOC (pH 5.5): 20208.34
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7266.57
ACD/KOC (pH 7.4): 20208.34
Polar Surface Area: 124 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 406.7±5.0 cm3

Click to predict properties on the Chemicalize site


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