ChemSpider 2D Image | N-[3-(4-{[(1-Ethyl-1H-pyrazol-4-yl)methyl]amino}-1-piperidinyl)phenyl]-4-phenylbutanamide | C27H35N5O

N-[3-(4-{[(1-Ethyl-1H-pyrazol-4-yl)methyl]amino}-1-piperidinyl)phenyl]-4-phenylbutanamide

  • Molecular FormulaC27H35N5O
  • Average mass445.600 Da
  • Monoisotopic mass445.284149 Da
  • ChemSpider ID22167928

More details:

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

Benzenebutanamide, N-[3-[4-[[(1-ethyl-1H-pyrazol-4-yl)methyl]amino]-1-piperidinyl]phenyl]- [ACD/Index Name]
N-[3-(4-{[(1-Ethyl-1H-pyrazol-4-yl)methyl]amino}-1-piperidinyl)phenyl]-4-phenylbutanamid [German] [ACD/IUPAC Name]
N-[3-(4-{[(1-Ethyl-1H-pyrazol-4-yl)methyl]amino}-1-piperidinyl)phenyl]-4-phenylbutanamide [ACD/IUPAC Name]
N-[3-(4-{[(1-Éthyl-1H-pyrazol-4-yl)méthyl]amino}-1-pipéridinyl)phényl]-4-phénylbutanamide [French] [ACD/IUPAC Name]
N-[3-(4-{[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]AMINO}PIPERIDIN-1-YL)PHENYL]-4-PHENYLBUTANAMIDE
N-[3-(4-{[(1-ETHYLPYRAZOL-4-YL)METHYL]AMINO}PIPERIDIN-1-YL)PHENYL]-4-PHENYLBUTANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.3±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.90
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 28.58
ACD/KOC (pH 7.4): 156.74
Polar Surface Area: 62 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 384.9±7.0 cm3

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