ChemSpider 2D Image | Isobutyl 4-(4-{[(2,6-diisopropylphenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C32H44N4O4

Isobutyl 4-(4-{[(2,6-diisopropylphenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC32H44N4O4
  • Average mass548.716 Da
  • Monoisotopic mass548.336243 Da
  • ChemSpider ID22570026

More details:

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

4-(4-{[(2,6-Diisopropylphényl)carbamoyl]amino}phényl)-6-méthyl-2-oxo-1-propyl-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'isobutyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-[4-[[[[2,6-bis(1-methylethyl)phenyl]amino]carbonyl]amino]phenyl]-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-propyl-, 2-methylpropyl ester [ACD/Index Name]
Isobutyl 4-(4-{[(2,6-diisopropylphenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Isobutyl-4-(4-{[(2,6-diisopropylphenyl)carbamoyl]amino}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 622.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.0±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26352.84
ACD/KOC (pH 5.5): 50817.43
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26349.97
ACD/KOC (pH 7.4): 50811.91
Polar Surface Area: 100 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 485.7±3.0 cm3

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