Found 3 results

Search term: BFTKDWYIRJGJCA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one | C22H22N6O

4-Methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

  • Molecular FormulaC22H22N6O
  • Average mass386.450 Da
  • Monoisotopic mass386.185516 Da
  • ChemSpider ID72384517

More details:

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

2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]- [ACD/Index Name]
4-Methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-on [German] [ACD/IUPAC Name]
4-Methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one [ACD/IUPAC Name]
4-Méthyl-6-[1-méthyl-3-(1-méthyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tétrahydro-2H-1,5-benzodiazépin-2-one [French] [ACD/IUPAC Name]
1884712-47-3 [RN]
CPI637
CPI-637

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.6±31.5 °C
Index of Refraction: 1.732
Molar Refractivity: 111.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 125.26
ACD/KOC (pH 5.5): 1100.23
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.01
ACD/KOC (pH 7.4): 1115.62
Polar Surface Area: 77 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 279.1±7.0 cm3

Click to predict properties on the Chemicalize site


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