ChemSpider 2D Image | KAA-276 FREE BASE | C31H35FN4O2

KAA-276 FREE BASE

  • Molecular FormulaC31H35FN4O2
  • Average mass514.634 Da
  • Monoisotopic mass514.274414 Da
  • ChemSpider ID8046827

More details:

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

167264-16-6 [RN]
3-[4-(2-{5-[1-(4-Fluorbenzyl)-1H-benzimidazol-2-yl]-1,5-diazocan-1-yl}ethyl)phenyl]propansäure [German] [ACD/IUPAC Name]
3-[4-(2-{5-[1-(4-Fluorobenzyl)-1H-benzimidazol-2-yl]-1,5-diazocan-1-yl}ethyl)phenyl]propanoic acid [ACD/IUPAC Name]
Acide 3-[4-(2-{5-[1-(4-fluorobenzyl)-1H-benzimidazol-2-yl]-1,5-diazocan-1-yl}éthyl)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[2-[5-[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]hexahydro-1,5-diazocin-1(2H)-yl]ethyl]- [ACD/Index Name]
KAA-276 FREE BASE
3-[4-[2-[5-[1-(4-fluorobenzyl)benzimidazol-2-yl]-1,5-diazocan-1-yl]ethyl]phenyl]propionic acid
3-[4-[2-[5-[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]-1,5-diazocan-1-yl]ethyl]phenyl]propanoic acid
3-[4-[2-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,5-diazocan-1-yl]ethyl]phenyl]propanoic acid
KAA-276

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

G7L3I4GBTH [DBID]
UNII:G7L3I4GBTH [DBID]
UNII-G7L3I4GBTH [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 701.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.0±35.7 °C
Index of Refraction: 1.623
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 3.67
ACD/KOC (pH 5.5): 9.40
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 23.42
ACD/KOC (pH 7.4): 60.08
Polar Surface Area: 62 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 422.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement