ChemSpider 2D Image | N-[(5-Propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-butanesulfonamide | C15H28N4O2S

N-[(5-Propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-butanesulfonamide

  • Molecular FormulaC15H28N4O2S
  • Average mass328.473 Da
  • Monoisotopic mass328.193298 Da
  • ChemSpider ID29528557

More details:

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

1-Butanesulfonamide, N-[(5,6,7,8-tetrahydro-5-propyl-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]- [ACD/Index Name]
N-[(5-Propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-butanesulfonamide [ACD/IUPAC Name]
N-[(5-Propyl-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépin-2-yl)méthyl]-1-butanesulfonamide [French] [ACD/IUPAC Name]
N-[(5-Propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-butansulfonamid [German] [ACD/IUPAC Name]
N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butane-1-sulfonamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 489.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.7±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 90.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.81
Polar Surface Area: 76 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 266.6±7.0 cm3

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