ChemSpider 2D Image | (2E)-1-(2-{4-[(5-Ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyrimidinyl}-1-piperidinyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one | C23H30N8OS

(2E)-1-(2-{4-[(5-Ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyrimidinyl}-1-piperidinyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one

  • Molecular FormulaC23H30N8OS
  • Average mass466.602 Da
  • Monoisotopic mass466.226318 Da
  • ChemSpider ID68391546

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(2-{4-[(5-Ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyrimidinyl}-1-piperidinyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2-{4-[(5-Ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyrimidinyl}-1-piperidinyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2-{4-[(5-Éthyl-1,3,4-thiadiazol-2-yl)amino]-6-méthyl-2-pyrimidinyl}-1-pipéridinyl)-3-(1,3,5-triméthyl-1H-pyrazol-4-yl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyrimidinyl]-1-piperidinyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.6±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 15.99
ACD/KOC (pH 5.5): 113.88
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 220.23
ACD/KOC (pH 7.4): 1568.47
Polar Surface Area: 130 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 345.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement