ChemSpider 2D Image | SB 414240 | C33H44N4O

SB 414240

  • Molecular FormulaC33H44N4O
  • Average mass512.729 Da
  • Monoisotopic mass512.351501 Da
  • ChemSpider ID7982218

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(1,4'-Bipiperidin-1'-ylmethyl)-N-[(2S)-3,3-dimethyl-2-butanyl]-2-phenyl-4-chinolincarboxamid [German] [ACD/IUPAC Name]
3-(1,4'-Bipipéridin-1'-ylméthyl)-N-[(2S)-3,3-diméthyl-2-butanyl]-2-phényl-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
3-(1,4'-Bipiperidin-1'-ylmethyl)-N-[(2S)-3,3-dimethyl-2-butanyl]-2-phenyl-4-quinolinecarboxamide [ACD/IUPAC Name]
4-Quinolinecarboxamide, 3-([1,4'-bipiperidin]-1'-ylmethyl)-2-phenyl-N-[(1S)-1,2,2-trimethylpropyl]- [ACD/Index Name]
SB 414240
272104-60-6 [RN]
3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoline-4-carboxylic acid (1,2,2-trimethyl-propyl)-amide
CHEMBL295770
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL295770/
N-[(2S)-3,3-dimethylbutan-2-yl]-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 642.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.3±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 157.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 12.05
ACD/KOC (pH 5.5): 26.55
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 206.76
ACD/KOC (pH 7.4): 455.70
Polar Surface Area: 48 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 462.9±3.0 cm3

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