ChemSpider 2D Image | Ethyl 2-methyl-4-({3-methyl-4-[(4-nitrophenyl)sulfonyl]-1-piperazinyl}carbonyl)-6-propyl-5-pyrimidinecarboxylate | C23H29N5O7S

Ethyl 2-methyl-4-({3-methyl-4-[(4-nitrophenyl)sulfonyl]-1-piperazinyl}carbonyl)-6-propyl-5-pyrimidinecarboxylate

  • Molecular FormulaC23H29N5O7S
  • Average mass519.571 Da
  • Monoisotopic mass519.178772 Da
  • ChemSpider ID3206570

More details:

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

2-Méthyl-4-({3-méthyl-4-[(4-nitrophényl)sulfonyl]-1-pipérazinyl}carbonyl)-6-propyl-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2-methyl-4-[[3-methyl-4-[(4-nitrophenyl)sulfonyl]-1-piperazinyl]carbonyl]-6-propyl-, ethyl ester [ACD/Index Name]
Ethyl 2-methyl-4-({3-methyl-4-[(4-nitrophenyl)sulfonyl]-1-piperazinyl}carbonyl)-6-propyl-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-2-methyl-4-({3-methyl-4-[(4-nitrophenyl)sulfonyl]-1-piperazinyl}carbonyl)-6-propyl-5-pyrimidincarboxylat [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: 705.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.7±35.7 °C
Index of Refraction: 1.578
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 55.05
ACD/KOC (pH 5.5): 613.25
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 55.05
ACD/KOC (pH 7.4): 613.25
Polar Surface Area: 164 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 391.1±3.0 cm3

Click to predict properties on the Chemicalize site


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