ChemSpider 2D Image | 3-(4-Chloro-1H-pyrazol-1-yl)-1-[6-hydroxy-6-(1-pyrrolidinylmethyl)-1,4-oxazepan-4-yl]-1-propanone | C16H25ClN4O3

3-(4-Chloro-1H-pyrazol-1-yl)-1-[6-hydroxy-6-(1-pyrrolidinylmethyl)-1,4-oxazepan-4-yl]-1-propanone

  • Molecular FormulaC16H25ClN4O3
  • Average mass356.848 Da
  • Monoisotopic mass356.161530 Da
  • ChemSpider ID29654237

More details:

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

1-Propanone, 3-(4-chloro-1H-pyrazol-1-yl)-1-[tetrahydro-6-hydroxy-6-(1-pyrrolidinylmethyl)-1,4-oxazepin-4(5H)-yl]- [ACD/Index Name]
3-(4-Chlor-1H-pyrazol-1-yl)-1-[6-hydroxy-6-(1-pyrrolidinylmethyl)-1,4-oxazepan-4-yl]-1-propanon [German] [ACD/IUPAC Name]
3-(4-Chloro-1H-pyrazol-1-yl)-1-[6-hydroxy-6-(1-pyrrolidinylmethyl)-1,4-oxazepan-4-yl]-1-propanone [ACD/IUPAC Name]
3-(4-Chloro-1H-pyrazol-1-yl)-1-[6-hydroxy-6-(1-pyrrolidinylméthyl)-1,4-oxazépan-4-yl]-1-propanone [French] [ACD/IUPAC Name]
4-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-6-ol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 564.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.3±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 91.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 257.5±7.0 cm3

Click to predict properties on the Chemicalize site


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