ChemSpider 2D Image | N-{(2R)-3-(7-Methyl-1H-indazol-5-yl)-1-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-1-oxo-2-propanyl}-4-(2-oxo-1,2-dihydro-3-quinolinyl)-1-piperidinecarboxamide | C36H46N8O3

N-{(2R)-3-(7-Methyl-1H-indazol-5-yl)-1-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-1-oxo-2-propanyl}-4-(2-oxo-1,2-dihydro-3-quinolinyl)-1-piperidinecarboxamide

  • Molecular FormulaC36H46N8O3
  • Average mass638.802 Da
  • Monoisotopic mass638.369263 Da
  • ChemSpider ID30814207

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidinecarboxamide, 4-(1,2-dihydro-2-oxo-3-quinolinyl)-N-[(1R)-1-[(7-methyl-1H-indazol-5-yl)methyl]-2-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
N-{(2R)-3-(7-Methyl-1H-indazol-5-yl)-1-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-1-oxo-2-propanyl}-4-(2-oxo-1,2-dihydro-3-chinolinyl)-1-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{(2R)-3-(7-Méthyl-1H-indazol-5-yl)-1-[4-(1-méthyl-4-pipéridinyl)-1-pipérazinyl]-1-oxo-2-propanyl}-4-(2-oxo-1,2-dihydro-3-quinoléinyl)-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-{(2R)-3-(7-Methyl-1H-indazol-5-yl)-1-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-1-oxo-2-propanyl}-4-(2-oxo-1,2-dihydro-3-quinolinyl)-1-piperidinecarboxamide [ACD/IUPAC Name]
1337918-83-8 [RN]
zavegepant

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

Density: 1.3±0.1 g/cm3
Boiling Point: 933.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 518.5±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 180.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 2.94
ACD/KOC (pH 7.4): 22.30
Polar Surface Area: 117 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 496.8±3.0 cm3

Click to predict properties on the Chemicalize site


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