ChemSpider 2D Image | Cyclopropyl[5-(1,4-dithiepan-6-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methanol | C16H25N3OS2

Cyclopropyl[5-(1,4-dithiepan-6-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methanol

  • Molecular FormulaC16H25N3OS2
  • Average mass339.519 Da
  • Monoisotopic mass339.143890 Da
  • ChemSpider ID35070310

More details:

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

4H-Pyrazolo[1,5-a][1,4]diazepine-2-methanol, α-cyclopropyl-5-(1,4-dithiepan-6-yl)-5,6,7,8-tetrahydro- [ACD/Index Name]
Cyclopropyl[5-(1,4-dithiepan-6-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methanol [German] [ACD/IUPAC Name]
Cyclopropyl[5-(1,4-dithiepan-6-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methanol [ACD/IUPAC Name]
Cyclopropyl[5-(1,4-dithiépan-6-yl)-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépin-2-yl]méthanol [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 546.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.5±30.1 °C
Index of Refraction: 1.754
Molar Refractivity: 93.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.24
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 79.89
Polar Surface Area: 92 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 228.7±7.0 cm3

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