ChemSpider 2D Image | {(2R)-4-[(5-Chloro-1H-indol-2-yl)sulfonyl]-2-isobutyl-1-piperazinyl}[5-(4-pyridinyl)-2-pyrimidinyl]methanone | C26H27ClN6O3S

{(2R)-4-[(5-Chloro-1H-indol-2-yl)sulfonyl]-2-isobutyl-1-piperazinyl}[5-(4-pyridinyl)-2-pyrimidinyl]methanone

  • Molecular FormulaC26H27ClN6O3S
  • Average mass539.049 Da
  • Monoisotopic mass538.155000 Da
  • ChemSpider ID25057056

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(2R)-4-[(5-Chlor-1H-indol-2-yl)sulfonyl]-2-isobutyl-1-piperazinyl}[5-(4-pyridinyl)-2-pyrimidinyl]methanon [German] [ACD/IUPAC Name]
{(2R)-4-[(5-Chloro-1H-indol-2-yl)sulfonyl]-2-isobutyl-1-piperazinyl}[5-(4-pyridinyl)-2-pyrimidinyl]methanone [ACD/IUPAC Name]
{(2R)-4-[(5-Chloro-1H-indol-2-yl)sulfonyl]-2-isobutyl-1-pipérazinyl}[5-(4-pyridinyl)-2-pyrimidinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(2R)-4-[(5-chloro-1H-indol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-piperazinyl][5-(4-pyridinyl)-2-pyrimidinyl]- [ACD/Index Name]
4-[(5-CHLOROINDOL-2-YL)SULFONYL]-2-(2-METHYLPROPYL)-1-[[5-(PYRIDIN-4-YL)PYRIMIDIN-2-YL]CARBONYL]PIPERAZINE

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

Density: 1.4±0.0 g/cm3
Boiling Point: 772.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 112.5±0.0 kJ/mol
Flash Point: 421.2±0.0 °C
Index of Refraction: 1.643
Molar Refractivity: 142.2±0.0 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3610.02
ACD/KOC (pH 5.5): 12237.41
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3620.72
ACD/KOC (pH 7.4): 12273.68
Polar Surface Area: 121 Å2
Polarizability: 56.4±0.0 10-24cm3
Surface Tension: 62.2±0.0 dyne/cm
Molar Volume: 393.2±0.0 cm3

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