ChemSpider 2D Image | MFCD00317324 | C31H42N4O4

MFCD00317324

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID3637768

More details:

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

2-(2,4-ditert-pentylphenoxy)-N-{4-[3-(4-morpholinyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide
2-[2,4-Bis(2-methyl-2-butanyl)phenoxy]-N-{4-[3-(4-morpholinyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamid [German] [ACD/IUPAC Name]
2-[2,4-Bis(2-methyl-2-butanyl)phenoxy]-N-{4-[3-(4-morpholinyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide [ACD/IUPAC Name]
2-[2,4-Bis(2-méthyl-2-butanyl)phénoxy]-N-{4-[3-(4-morpholinyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]phényl}acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-3-(4-morpholinyl)-5-oxo-1H-pyrazol-1-yl]phenyl]- [ACD/Index Name]
MFCD00317324
2-[2,4-Bis-(1,1-dimethyl-propyl)-phenoxy]-N-[4-(3-morpholin-4-yl-5-oxo-4,5-dihydro-pyrazol-1-yl)-phenyl]-acetamide
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{4-[3-(morpholin-4-yl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide

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

ZINC04014814 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 153.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1283.08
ACD/KOC (pH 5.5): 5776.15
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1333.79
ACD/KOC (pH 7.4): 6004.47
Polar Surface Area: 83 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 460.9±7.0 cm3

Click to predict properties on the Chemicalize site


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