ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[4-{[3-(3,4-dihydro-2(1H)-isoquinolinyl)propyl]carbamoyl}-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate | C33H43N5O4

2-Methyl-2-propanyl 4-[4-{[3-(3,4-dihydro-2(1H)-isoquinolinyl)propyl]carbamoyl}-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate

  • Molecular FormulaC33H43N5O4
  • Average mass573.726 Da
  • Monoisotopic mass573.331482 Da
  • ChemSpider ID22480221

More details:

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

1-Piperidinecarboxylic acid, 4-[4-[[[3-(3,4-dihydro-2(1H)-isoquinolinyl)propyl]amino]carbonyl]-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[4-{[3-(3,4-dihydro-2(1H)-isoquinolinyl)propyl]carbamoyl}-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[4-{[3-(3,4-dihydro-2(1H)-isochinolinyl)propyl]carbamoyl}-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[4-{[3-(3,4-Dihydro-2(1H)-isoquinoléinyl)propyl]carbamoyl}-1-(4-méthoxyphényl)-1H-pyrazol-5-yl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.6±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 164.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 6.04
ACD/KOC (pH 5.5): 21.05
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 254.45
ACD/KOC (pH 7.4): 886.60
Polar Surface Area: 89 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 471.5±7.0 cm3

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