ChemSpider 2D Image | [2-(3,4-Dimethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinyl}methanone | C27H36N6O3S

[2-(3,4-Dimethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinyl}methanone

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID65153119

More details:

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

[2-(3,4-Dimethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinyl}methanon [German] [ACD/IUPAC Name]
[2-(3,4-Dimethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinyl}methanone [ACD/IUPAC Name]
[2-(3,4-Diméthylphényl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazépin-5(6H)-yl]{1-[(1,3,5-triméthyl-1H-pyrazol-4-yl)sulfonyl]-3-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [2-(3,4-dimethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl][1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinyl]- [ACD/Index 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: 754.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.8±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 342.57
ACD/KOC (pH 5.5): 2269.66
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.62
ACD/KOC (pH 7.4): 2270.01
Polar Surface Area: 102 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 389.9±7.0 cm3

Click to predict properties on the Chemicalize site


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