Found 15 results

Search term: MF = 'C_{29}H_{33}F_{3}N_{6}O_{4}S'
ChemSpider 2D Image | 1-[1-(2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-1H-benzimidazol-2-ol | C29H33F3N6O4S

1-[1-(2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-1H-benzimidazol-2-ol

  • Molecular FormulaC29H33F3N6O4S
  • Average mass618.670 Da
  • Monoisotopic mass618.223633 Da
  • ChemSpider ID8364761

More details:

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

1-[1-(2-Hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluormethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
1-[1-(2-Hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one [ACD/IUPAC Name]
1-[1-(2-Hydroxy-3-{5-(méthylsulfonyl)-3-[4-(trifluorométhyl)phényl]-4,5,6,7-tétrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)-4-pipéridinyl]-1,3-dihydro-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
1-[1-(2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-1H-benzimidazol-2-ol
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[2-hydroxy-3-[4,5,6,7-tetrahydro-5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-piperidinyl]- [ACD/Index Name]
1-(1-{2-Hydroxy-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
CHEMBL359884
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL359884/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 154.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 3.60
ACD/KOC (pH 5.5): 20.88
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 173.02
ACD/KOC (pH 7.4): 1004.69
Polar Surface Area: 119 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 408.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement