ChemSpider 2D Image | 3-[2-(Hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-N,N-dimethyl-1-propanesulfonamide | C13H24N4O3S

3-[2-(Hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-N,N-dimethyl-1-propanesulfonamide

  • Molecular FormulaC13H24N4O3S
  • Average mass316.420 Da
  • Monoisotopic mass316.156921 Da
  • ChemSpider ID35068385

More details:






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

3-[2-(Hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-N,N-dimethyl-1-propanesulfonamide [ACD/IUPAC Name]
3-[2-(Hydroxyméthyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazépin-5(6H)-yl]-N,N-diméthyl-1-propanesulfonamide [French] [ACD/IUPAC Name]
3-[2-(Hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-N,N-dimethyl-1-propansulfonamid [German] [ACD/IUPAC Name]
4H-Pyrazolo[1,5-a][1,4]diazepine-5(6H)-propanesulfonamide, 7,8-dihydro-2-(hydroxymethyl)-N,N-dimethyl- [ACD/Index Name]
3-[2-(hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-N,N-dimethylpropane-1-sulfonamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 518.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.4±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 82.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 87 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 237.8±7.0 cm3

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