ChemSpider 2D Image | BDM-31343 | C14H14N4O2S

BDM-31343

  • Molecular FormulaC14H14N4O2S
  • Average mass302.352 Da
  • Monoisotopic mass302.083740 Da
  • ChemSpider ID24838025

More details:

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

1-Piperidinepropanenitrile, β-oxo-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]- [ACD/Index Name]
3-Oxo-3-{4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}propanenitrile [ACD/IUPAC Name]
3-Oxo-3-{4-[3-(2-thiényl)-1,2,4-oxadiazol-5-yl]-1-pipéridinyl}propanenitrile [French] [ACD/IUPAC Name]
3-Oxo-3-{4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}propannitril [German] [ACD/IUPAC Name]
BDM-31343
1001468-07-0 [RN]
3-Oxo-3-{4-[3-(Thiophen-2-Yl)-1,2,4-Oxadiazol-5-Yl]piperidin-1-Yl}propanenitrile
BDM31343
FO5

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

986O4ZLL9T [DBID]
UNII:986O4ZLL9T [DBID]
UNII-986O4ZLL9T [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.8±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 4.75
ACD/KOC (pH 5.5): 98.56
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.52
Polar Surface Area: 111 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 226.8±3.0 cm3

Click to predict properties on the Chemicalize site


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