ChemSpider 2D Image | 3-(2-Amino-6-quinazolinyl)-N-{2-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide | C29H29F3N6O

3-(2-Amino-6-quinazolinyl)-N-{2-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide

  • Molecular FormulaC29H29F3N6O
  • Average mass534.575 Da
  • Monoisotopic mass534.235474 Da
  • ChemSpider ID9730370

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(2-Amino-6-chinazolinyl)-N-{2-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-5-(trifluormethyl)phenyl}-4-methylbenzamid [German] [ACD/IUPAC Name]
3-(2-Amino-6-quinazolinyl)-N-{2-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide [ACD/IUPAC Name]
3-(2-Amino-6-quinazolinyl)-N-{2-[(3R)-3-(diméthylamino)-1-pyrrolidinyl]-5-(trifluorométhyl)phényl}-4-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 3-(2-amino-6-quinazolinyl)-N-[2-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-5-(trifluoromethyl)phenyl]-4-methyl- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 3.47
ACD/KOC (pH 5.5): 11.67
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 102.71
ACD/KOC (pH 7.4): 345.44
Polar Surface Area: 87 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 389.8±5.0 cm3

Click to predict properties on the Chemicalize site


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