ChemSpider 2D Image | N-{4-[(3S)-4'-Oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]-2-pyridinyl}-3-(trifluoromethyl)benzamide | C24H22F3N5O2

N-{4-[(3S)-4'-Oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]-2-pyridinyl}-3-(trifluoromethyl)benzamide

  • Molecular FormulaC24H22F3N5O2
  • Average mass469.459 Da
  • Monoisotopic mass469.172546 Da
  • ChemSpider ID26327698

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[4-[(3S)-1',4',5',6'-tetrahydro-4'-oxospiro[piperidine-3,7'-[7H]pyrrolo[3,2-c]pyridin]-2'-yl]-2-pyridinyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-{4-[(3S)-4'-Oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]-2-pyridinyl}-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-{4-[(3s)-4'-Oxo-1',4',5',6'-Tetrahydrospiro[piperidine-3,7'-Pyrrolo[3,2-C]pyridin]-2'-Yl]pyridin-2-Yl}-3-(Trifluoromethyl)benzamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 697.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 375.7±31.5 °C
Index of Refraction: 1.648
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 321.5±5.0 cm3

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