ChemSpider 2D Image | bacillamide B | C16H17N3O2S

bacillamide B

  • Molecular FormulaC16H17N3O2S
  • Average mass315.390 Da
  • Monoisotopic mass315.104156 Da
  • ChemSpider ID23311141

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(1R)-1-Hydroxyethyl]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-[(1R)-1-Hydroxyethyl]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-[(1R)-1-Hydroxyéthyl]-N-[2-(1H-indol-3-yl)éthyl]-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-[(1R)-1-hydroxyethyl]-N-[2-(1H-indol-3-yl)ethyl]- [ACD/Index Name]
bacillamide B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 628.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.8±30.1 °C
Index of Refraction: 1.687
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.61
ACD/KOC (pH 5.5): 103.88
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.61
ACD/KOC (pH 7.4): 103.88
Polar Surface Area: 106 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 233.2±3.0 cm3

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