ChemSpider 2D Image | 4-Ethyl 2-(2-methoxyethyl) 3-methyl-5-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)-2,4-thiophenedicarboxylate | C22H29N5O6S

4-Ethyl 2-(2-methoxyethyl) 3-methyl-5-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)-2,4-thiophenedicarboxylate

  • Molecular FormulaC22H29N5O6S
  • Average mass491.561 Da
  • Monoisotopic mass491.183868 Da
  • ChemSpider ID22550914

More details:

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

2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[2-[4-(2-pyrimidinyl)-1-piperazinyl]acetyl]amino]-, 4-ethyl 2-(2-methoxyethyl) ester [ACD/Index Name]
3-Méthyl-5-({2-[4-(2-pyrimidinyl)-1-pipérazinyl]acétyl}amino)-2,4-thiophènedicarboxylate de 4-éthyle et de 2-(2-méthoxyéthyle) [French] [ACD/IUPAC Name]
4-Ethyl 2-(2-methoxyethyl) 3-methyl-5-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
4-Ethyl-2-(2-methoxyethyl)-3-methyl-5-({[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}amino)-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.593
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 90.35
ACD/KOC (pH 5.5): 802.39
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.69
ACD/KOC (pH 7.4): 1080.66
Polar Surface Area: 151 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 375.2±3.0 cm3

Click to predict properties on the Chemicalize site


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