ChemSpider 2D Image | (2S)-N~1~-[5-(1H-Indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)-1,2-propanediamine | C19H20N6S

(2S)-N1-[5-(1H-Indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)-1,2-propanediamine

  • Molecular FormulaC19H20N6S
  • Average mass364.467 Da
  • Monoisotopic mass364.147003 Da
  • ChemSpider ID26327124

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N1-[5-(1H-Indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)-1,2-propandiamin [German] [ACD/IUPAC Name]
(2S)-N1-[5-(1H-Indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)-1,2-propanediamine [ACD/IUPAC Name]
(2S)-N1-[5-(1H-Indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-méthylphényl)-1,2-propanediamine [French] [ACD/IUPAC Name]
(2s)-N1-[5-(1h-Indazol-5-Yl)-1,3,4-Thiadiazol-2-Yl]-3-(4-Methylphenyl)propane-1,2-Diamine
1,2-Propanediamine, N1-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)-, (2S)- [ACD/Index Name]
L9N

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

Density: 1.4±0.1 g/cm3
Boiling Point: 626.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.7±34.3 °C
Index of Refraction: 1.728
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.95
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 37.17
ACD/KOC (pH 7.4): 302.94
Polar Surface Area: 121 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 269.8±3.0 cm3

Click to predict properties on the Chemicalize site


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