Found 1 result

Search term: CAPZSPOPEHSYOZ-FQEVSTJZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{(2S)-1-[6-Chloro-1-(4-fluoro-3,5-dimethylbenzyl)-2-(1-piperazinyl)-1H-benzimidazol-4-yl]-2-pyrrolidinyl}methanamine | C25H32ClFN6

1-{(2S)-1-[6-Chloro-1-(4-fluoro-3,5-dimethylbenzyl)-2-(1-piperazinyl)-1H-benzimidazol-4-yl]-2-pyrrolidinyl}methanamine

  • Molecular FormulaC25H32ClFN6
  • Average mass471.013 Da
  • Monoisotopic mass470.236115 Da
  • ChemSpider ID90658235

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{(2S)-1-[6-Chlor-1-(4-fluor-3,5-dimethylbenzyl)-2-(1-piperazinyl)-1H-benzimidazol-4-yl]-2-pyrrolidinyl}methanamin [German] [ACD/IUPAC Name]
1-{(2S)-1-[6-Chloro-1-(4-fluoro-3,5-dimethylbenzyl)-2-(1-piperazinyl)-1H-benzimidazol-4-yl]-2-pyrrolidinyl}methanamine [ACD/IUPAC Name]
1-{(2S)-1-[6-Chloro-1-(4-fluoro-3,5-diméthylbenzyl)-2-(1-pipérazinyl)-1H-benzimidazol-4-yl]-2-pyrrolidinyl}méthanamine [French] [ACD/IUPAC Name]
2-Pyrrolidinemethanamine, 1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(1-piperazinyl)-1H-benzimidazol-4-yl]-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.3±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 129.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.25
Polar Surface Area: 62 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 341.1±7.0 cm3

Click to predict properties on the Chemicalize site


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