ChemSpider 2D Image | Ethyl 2-[({[9-(4-methylphenyl)thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetyl)amino]benzoate | C25H21N5O3S2

Ethyl 2-[({[9-(4-methylphenyl)thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetyl)amino]benzoate

  • Molecular FormulaC25H21N5O3S2
  • Average mass503.596 Da
  • Monoisotopic mass503.108582 Da
  • ChemSpider ID2444398

More details:

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

2-[(2-{[9-(4-Méthylphényl)thiéno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acétyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[[9-(4-methylphenyl)thieno[3,2-e]-1,2,4-triazolo[4,3-c]pyrimidin-3-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[({[9-(4-methylphenyl)thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-2-[({[9-(4-methylphenyl)thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetyl)amino]benzoat [German] [ACD/IUPAC Name]

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

ASN 05045612 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 139.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7733.21
ACD/KOC (pH 5.5): 21128.96
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7733.08
ACD/KOC (pH 7.4): 21128.62
Polar Surface Area: 152 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 349.9±7.0 cm3

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