ChemSpider 2D Image | N-(4-Cyanophenyl)-4-{6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl}-1-piperazinecarbothioamide | C28H33N7O2S

N-(4-Cyanophenyl)-4-{6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl}-1-piperazinecarbothioamide

  • Molecular FormulaC28H33N7O2S
  • Average mass531.672 Da
  • Monoisotopic mass531.241638 Da
  • ChemSpider ID23250408

More details:

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

1-Piperazinecarbothioamide, N-(4-cyanophenyl)-4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]- [ACD/Index Name]
N-(4-Cyanophenyl)-4-{6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl}-1-piperazinecarbothioamide [ACD/IUPAC Name]
N-(4-Cyanophényl)-4-{6-méthoxy-7-[2-(1-pipéridinyl)éthoxy]-4-quinazolinyl}-1-pipérazinecarbothioamide [French] [ACD/IUPAC Name]
N-(4-cyanophenyl)-4-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]quinazolin-4-yl}piperazine-1-carbimidothioic acid
N-(4-Cyanphenyl)-4-{6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-chinazolinyl}-1-piperazincarbothioamid [German] [ACD/IUPAC Name]
4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (4-cyano-phenyl)-amide
CHEMBL183731

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.3±35.7 °C
Index of Refraction: 1.674
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 404.2±7.0 cm3

Click to predict properties on the Chemicalize site


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