ChemSpider 2D Image | 7-Methoxy-6-[3-(4-methyl-1-piperazinyl)propoxy]-N-{4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl}-4-quinazolinamine | C31H31F3N6O2S

7-Methoxy-6-[3-(4-methyl-1-piperazinyl)propoxy]-N-{4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl}-4-quinazolinamine

  • Molecular FormulaC31H31F3N6O2S
  • Average mass608.677 Da
  • Monoisotopic mass608.218140 Da
  • ChemSpider ID24647537

More details:

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

4-Quinazolinamine, 7-methoxy-6-[3-(4-methyl-1-piperazinyl)propoxy]-N-[4-[5-(trifluoromethyl)-2-benzothiazolyl]phenyl]- [ACD/Index Name]
7-Methoxy-6-[3-(4-methyl-1-piperazinyl)propoxy]-N-{4-[5-(trifluormethyl)-1,3-benzothiazol-2-yl]phenyl}-4-chinazolinamin [German] [ACD/IUPAC Name]
7-Methoxy-6-[3-(4-methyl-1-piperazinyl)propoxy]-N-{4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl}-4-quinazolinamine [ACD/IUPAC Name]
7-Méthoxy-6-[3-(4-méthyl-1-pipérazinyl)propoxy]-N-{4-[5-(trifluorométhyl)-1,3-benzothiazol-2-yl]phényl}-4-quinazolinamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.1±35.7 °C
Index of Refraction: 1.639
Molar Refractivity: 164.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 7.82
ACD/KOC (pH 5.5): 27.77
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 871.29
ACD/KOC (pH 7.4): 3095.80
Polar Surface Area: 104 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 457.3±3.0 cm3

Click to predict properties on the Chemicalize site


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