ChemSpider 2D Image | N-(3,4-Dimethylphenyl)-2-{2-methoxy-4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydro-2-quinazolinyl]phenoxy}acetamide | C32H31N3O5

N-(3,4-Dimethylphenyl)-2-{2-methoxy-4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydro-2-quinazolinyl]phenoxy}acetamide

  • Molecular FormulaC32H31N3O5
  • Average mass537.606 Da
  • Monoisotopic mass537.226379 Da
  • ChemSpider ID855962

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-(3,4-dimethylphenyl)-2-[2-methoxy-4-[(2S)-1,2,3,4-tetrahydro-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]phenoxy]- [ACD/Index Name]
N-(3,4-Dimethylphenyl)-2-{2-methoxy-4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydro-2-chinazolinyl]phenoxy}acetamid [German] [ACD/IUPAC Name]
N-(3,4-Dimethylphenyl)-2-{2-methoxy-4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydro-2-quinazolinyl]phenoxy}acetamide [ACD/IUPAC Name]
N-(3,4-Diméthylphényl)-2-{2-méthoxy-4-[(2S)-3-(4-méthoxyphényl)-4-oxo-1,2,3,4-tétrahydro-2-quinazolinyl]phénoxy}acétamide [French] [ACD/IUPAC Name]

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

ZINC00637765 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 784.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 428.2±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 153.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2254.18
ACD/KOC (pH 5.5): 8742.97
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2254.27
ACD/KOC (pH 7.4): 8743.36
Polar Surface Area: 89 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 430.3±3.0 cm3

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