Found 1 result

Search term: JRNXAQINDCOHGS-HOSYDEDBSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {4-Amino-2-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-ylamino]-1,3-thiazol-5-yl}(2-nitrophenyl)methanone | C17H18N4O3S

{4-Amino-2-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-ylamino]-1,3-thiazol-5-yl}(2-nitrophenyl)methanone

  • Molecular FormulaC17H18N4O3S
  • Average mass358.415 Da
  • Monoisotopic mass358.109955 Da
  • ChemSpider ID128751441

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{4-Amino-2-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-ylamino]-1,3-thiazol-5-yl}(2-nitrophenyl)methanon [German] [ACD/IUPAC Name]
{4-Amino-2-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-ylamino]-1,3-thiazol-5-yl}(2-nitrophenyl)methanone [ACD/IUPAC Name]
{4-Amino-2-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-ylamino]-1,3-thiazol-5-yl}(2-nitrophényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-amino-2-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-ylamino]-5-thiazolyl](2-nitrophenyl)- [ACD/Index 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: 623.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.1±34.3 °C
Index of Refraction: 1.718
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.41
ACD/KOC (pH 5.5): 775.29
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.47
ACD/KOC (pH 7.4): 775.90
Polar Surface Area: 142 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 74.7±3.0 dyne/cm
Molar Volume: 245.1±3.0 cm3

Click to predict properties on the Chemicalize site


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