ChemSpider 2D Image | GAT100 | C25H28N4OS

GAT100

  • Molecular FormulaC25H28N4OS
  • Average mass432.581 Da
  • Monoisotopic mass432.198395 Da
  • ChemSpider ID58145179

More details:

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

1663564-42-8 [RN]
3-Ethyl-2-({2-[4-(1-piperidinyl)phenyl]ethyl}carbamoyl)-1H-indol-5-yl thiocyanate [ACD/IUPAC Name]
3-Ethyl-2-({2-[4-(1-piperidinyl)phenyl]ethyl}carbamoyl)-1H-indol-5-ylthiocyanat [German] [ACD/IUPAC Name]
GAT100 [Wiki]
Thiocyanate de 3-éthyl-2-({2-[4-(1-pipéridinyl)phényl]éthyl}carbamoyl)-1H-indol-5-yle [French] [ACD/IUPAC Name]
Thiocyanic acid, 3-ethyl-2-[[[2-[4-(1-piperidinyl)phenyl]ethyl]amino]carbonyl]-1H-indol-5-yl ester [ACD/Index Name]
3-Ethyl-5-isothiocyanato-N-[4-(piperidin-1-yl)phenethyl]-1H-indole-2-carboxamide
5-(cyanosulfanyl)-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 716.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.0±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1235.99
ACD/KOC (pH 5.5): 4173.63
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3581.13
ACD/KOC (pH 7.4): 12092.61
Polar Surface Area: 97 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 340.6±5.0 cm3

Click to predict properties on the Chemicalize site


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