ChemSpider 2D Image | methyl 5-({[3-(tert-butyl)-1-(mesitylmethyl)-1H-pyrazol-5-yl]carbonyl}amino)-2-morpholinobenzoate | C30H38N4O4

methyl 5-({[3-(tert-butyl)-1-(mesitylmethyl)-1H-pyrazol-5-yl]carbonyl}amino)-2-morpholinobenzoate

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID2088280

More details:

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

5-({[1-(Mésitylméthyl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}amino)-2-(4-morpholinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[[3-(1,1-dimethylethyl)-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrazol-5-yl]carbonyl]amino]-2-(4-morpholinyl)-, methyl ester [ACD/Index Name]
Methyl 5-({[1-(mesitylmethyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}amino)-2-(4-morpholinyl)benzoate [ACD/IUPAC Name]
methyl 5-({[3-(tert-butyl)-1-(mesitylmethyl)-1H-pyrazol-5-yl]carbonyl}amino)-2-morpholinobenzoate
Methyl-5-({[1-(mesitylmethyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}amino)-2-(4-morpholinyl)benzoat [German] [ACD/IUPAC Name]

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

ZINC01029004 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 646.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.5±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 148.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5160.88
ACD/KOC (pH 5.5): 15470.80
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5574.74
ACD/KOC (pH 7.4): 16711.40
Polar Surface Area: 86 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 438.6±7.0 cm3

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