Found 1 result

Search term: NWMICPFRYRCYBN-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-Benzyl-2-[4-(1H-indazol-3-yl)-5-oxo-1-phenyl-4,5-dihydro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-6-yl]-N-isopropylacetamide | C35H31N7O2

N-Benzyl-2-[4-(1H-indazol-3-yl)-5-oxo-1-phenyl-4,5-dihydro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-6-yl]-N-isopropylacetamide

  • Molecular FormulaC35H31N7O2
  • Average mass581.666 Da
  • Monoisotopic mass581.253906 Da
  • ChemSpider ID26362929

More details:

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

6H-[1,2,4]Triazolo[4,3-a][1,5]benzodiazepine-6-acetamide, 4,5-dihydro-4-(1H-indazol-3-yl)-N-(1-methylethyl)-5-oxo-1-phenyl-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-2-[4-(1H-indazol-3-yl)-5-oxo-1-phenyl-4,5-dihydro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-6-yl]-N-isopropylacetamid [German] [ACD/IUPAC Name]
N-Benzyl-2-[4-(1H-indazol-3-yl)-5-oxo-1-phenyl-4,5-dihydro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-6-yl]-N-isopropylacetamide [ACD/IUPAC Name]
N-Benzyl-2-[4-(1H-indazol-3-yl)-5-oxo-1-phényl-4,5-dihydro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazépin-6-yl]-N-isopropylacétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 903.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 500.4±37.1 °C
Index of Refraction: 1.709
Molar Refractivity: 171.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1672.96
ACD/KOC (pH 5.5): 7062.59
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1673.04
ACD/KOC (pH 7.4): 7062.89
Polar Surface Area: 100 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 439.3±7.0 cm3

Click to predict properties on the Chemicalize site


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