Found 1 result

Search term: GZYCQQBRSRIFII-JAQLMMITSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3,5-Difluoro-N-(6-{[4-(2-hydroxy-2-propanyl)-1-piperidinyl]methyl}-1-[cis-4-(isopropylcarbamoyl)cyclohexyl]-1H-benzimidazol-2-yl)benzamide | C33H43F2N5O3

3,5-Difluoro-N-(6-{[4-(2-hydroxy-2-propanyl)-1-piperidinyl]methyl}-1-[cis-4-(isopropylcarbamoyl)cyclohexyl]-1H-benzimidazol-2-yl)benzamide

  • Molecular FormulaC33H43F2N5O3
  • Average mass595.723 Da
  • Monoisotopic mass595.333374 Da
  • ChemSpider ID28644458

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,5-Difluor-N-(6-{[4-(2-hydroxy-2-propanyl)-1-piperidinyl]methyl}-1-[cis-4-(isopropylcarbamoyl)cyclohexyl]-1H-benzimidazol-2-yl)benzamid [German] [ACD/IUPAC Name]
3,5-Difluoro-N-(6-{[4-(2-hydroxy-2-propanyl)-1-piperidinyl]methyl}-1-[cis-4-(isopropylcarbamoyl)cyclohexyl]-1H-benzimidazol-2-yl)benzamide [ACD/IUPAC Name]
3,5-Difluoro-N-(6-{[4-(2-hydroxy-2-propanyl)-1-pipéridinyl]méthyl}-1-[cis-4-(isopropylcarbamoyl)cyclohexyl]-1H-benzimidazol-2-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,5-difluoro-N-[6-[[4-(1-hydroxy-1-methylethyl)-1-piperidinyl]methyl]-1-[cis-4-[[(1-methylethyl)amino]carbonyl]cyclohexyl]-1H-benzimidazol-2-yl]- [ACD/Index Name]
1388225-79-3 [RN]
1388225-79-3 (TSR-011 isomer)
3,5-difluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
TSR-011
TSR-011-isomer

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 161.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 5.69
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 25.92
ACD/KOC (pH 7.4): 123.24
Polar Surface Area: 97 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 455.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement