ChemSpider 2D Image | Methyl 5-chloro-2-({[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)-4-phenyl-3-thiophenecarboxylate | C22H18ClN3O3S3

Methyl 5-chloro-2-({[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)-4-phenyl-3-thiophenecarboxylate

  • Molecular FormulaC22H18ClN3O3S3
  • Average mass504.045 Da
  • Monoisotopic mass503.019867 Da
  • ChemSpider ID1306634

More details:

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

3-Thiophenecarboxylic acid, 5-chloro-2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-4-phenyl-, methyl ester [ACD/Index Name]
5-Chloro-2-({2-[(5,6-diméthylthiéno[2,3-d]pyrimidin-4-yl)sulfanyl]acétyl}amino)-4-phényl-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-chloro-2-({[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)-4-phenyl-3-thiophenecarboxylate [ACD/IUPAC Name]
methyl 5-chloro-2-({[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)-4-phenylthiophene-3-carboxylate
Methyl-5-chlor-2-({[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)-4-phenyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
315683-63-7 [RN]
methyl 2-[2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]-5-chloro-4-phenylthiophene-3-carboxylate
methyl 5-chloro-2-(2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetamido)-4-phenylthiophene-3-carboxylate
methyl 5-chloro-2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate
methyl 5-chloro-2-[2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetamido]-4-phenylthiophene-3-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.710
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16084.22
ACD/KOC (pH 5.5): 35688.00
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16078.51
ACD/KOC (pH 7.4): 35675.34
Polar Surface Area: 163 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

Click to predict properties on the Chemicalize site


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