ChemSpider 2D Image | N,N-Diethyl-2-[5-methyl-6-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide | C24H28N6O5S

N,N-Diethyl-2-[5-methyl-6-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

  • Molecular FormulaC24H28N6O5S
  • Average mass512.581 Da
  • Monoisotopic mass512.184204 Da
  • ChemSpider ID5047620

More details:

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

N,N-Diethyl-2-[5-methyl-6-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamid [German] [ACD/IUPAC Name]
N,N-Diethyl-2-[5-methyl-6-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide [ACD/IUPAC Name]
N,N-Diéthyl-2-[5-méthyl-6-{[4-(4-nitrophényl)-1-pipérazinyl]carbonyl}-4-oxothiéno[2,3-d]pyrimidin-3(4H)-yl]acétamide [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-3(4H)-acetamide, N,N-diethyl-5-methyl-6-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]-4-oxo- [ACD/Index Name]

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

ChemDiv1_007765 [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: 769.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.4±35.7 °C
Index of Refraction: 1.685
Molar Refractivity: 137.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 14.06
ACD/KOC (pH 5.5): 230.91
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 14.06
ACD/KOC (pH 7.4): 230.92
Polar Surface Area: 151 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 361.3±7.0 cm3

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