ChemSpider 2D Image | bacillamide C | C18H20N4O2S

bacillamide C

  • Molecular FormulaC18H20N4O2S
  • Average mass356.442 Da
  • Monoisotopic mass356.130707 Da
  • ChemSpider ID23311142

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(1R)-1-(acetylamino)ethyl]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
2-[(1R)-1-Acetamidoethyl]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-[(1R)-1-Acetamidoethyl]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-[(1R)-1-Acétamidoéthyl]-N-[2-(1H-indol-3-yl)éthyl]-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-[(1R)-1-(acetylamino)ethyl]-N-[2-(1H-indol-3-yl)ethyl]- [ACD/Index Name]
bacillamide C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 715.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.4±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 100.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.56
ACD/KOC (pH 5.5): 133.79
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.56
ACD/KOC (pH 7.4): 133.79
Polar Surface Area: 115 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 274.6±3.0 cm3

Click to predict properties on the Chemicalize site


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