ChemSpider 2D Image | Ethyl 2-[({2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]thieno[2,3-d]pyrimidin-6-yl}carbonyl)amino]benzoate | C27H28N6O3S

Ethyl 2-[({2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]thieno[2,3-d]pyrimidin-6-yl}carbonyl)amino]benzoate

  • Molecular FormulaC27H28N6O3S
  • Average mass516.615 Da
  • Monoisotopic mass516.194336 Da
  • ChemSpider ID5047779

More details:

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

2-[({2,5-Diméthyl-4-[4-(2-pyridinyl)-1-pipérazinyl]thiéno[2,3-d]pyrimidin-6-yl}carbonyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]thieno[2,3-d]pyrimidin-6-yl]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[({2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]thieno[2,3-d]pyrimidin-6-yl}carbonyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-2-[({2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]thieno[2,3-d]pyrimidin-6-yl}carbonyl)amino]benzoat [German] [ACD/IUPAC Name]

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

ChemDiv1_008028 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 145.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 7.12
ACD/KOC (pH 5.5): 28.10
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 179.48
ACD/KOC (pH 7.4): 708.63
Polar Surface Area: 129 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 386.0±3.0 cm3

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