ChemSpider 2D Image | balovaptan | C22H24ClN5O

balovaptan

  • Molecular FormulaC22H24ClN5O
  • Average mass409.912 Da
  • Monoisotopic mass409.166931 Da
  • ChemSpider ID59718648

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1228088-30-9 [RN]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-5,6-dihydro-5-methyl-1-[trans-4-(2-pyridinyloxy)cyclohexyl]- [ACD/Index Name]
8-Chlor-5-methyl-1-[trans-4-(2-pyridinyloxy)cyclohexyl]-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
8-Chloro-5-methyl-1-[trans-4-(2-pyridinyloxy)cyclohexyl]-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine [ACD/IUPAC Name]
8-Chloro-5-méthyl-1-[trans-4-(2-pyridinyloxy)cyclohexyl]-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]
balovaptan [INN]
balovaptan [French] [INN]
balovaptán [Spanish] [INN]
balovaptanum [Latin] [INN]
RAX5D5AGV6
More...

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

10298 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 597.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 114.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 96.20
ACD/KOC (pH 5.5): 783.52
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.24
ACD/KOC (pH 7.4): 1337.70
Polar Surface Area: 56 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 294.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement