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

Isobutyl 2,4-dimethyl-6-({3-methyl-4-[(4-nitrophenyl)sulfonyl]-1-piperazinyl}carbonyl)-5-pyrimidinecarboxylate

  • Molecular FormulaC23H29N5O7S
  • Average mass519.571 Da
  • Monoisotopic mass519.178772 Da
  • ChemSpider ID2640534

More details:

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

2,4-Diméthyl-6-({3-méthyl-4-[(4-nitrophényl)sulfonyl]-1-pipérazinyl}carbonyl)-5-pyrimidinecarboxylate d'isobutyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2,4-dimethyl-6-[[3-methyl-4-[(4-nitrophenyl)sulfonyl]-1-piperazinyl]carbonyl]-, 2-methylpropyl ester [ACD/Index Name]
Isobutyl 2,4-dimethyl-6-({3-methyl-4-[(4-nitrophenyl)sulfonyl]-1-piperazinyl}carbonyl)-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Isobutyl-2,4-dimethyl-6-({3-methyl-4-[(4-nitrophenyl)sulfonyl]-1-piperazinyl}carbonyl)-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: 701.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.3±35.7 °C
Index of Refraction: 1.577
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.65
ACD/KOC (pH 5.5): 569.58
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.65
ACD/KOC (pH 7.4): 569.58
Polar Surface Area: 164 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 391.5±3.0 cm3

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