ChemSpider 2D Image | N-Benzyl-2-[(4S)-3-(4-biphenylyl)-2-{[5-(dimethylamino)pentyl](methyl)amino}-3,4-dihydro-4-quinazolinyl]ethanimidic acid | C37H43N5O

N-Benzyl-2-[(4S)-3-(4-biphenylyl)-2-{[5-(dimethylamino)pentyl](methyl)amino}-3,4-dihydro-4-quinazolinyl]ethanimidic acid

  • Molecular FormulaC37H43N5O
  • Average mass573.770 Da
  • Monoisotopic mass573.346741 Da
  • ChemSpider ID57642604

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Quinazolineethanimidic acid, 3-[1,1'-biphenyl]-4-yl-2-[[5-(dimethylamino)pentyl]methylamino]-3,4-dihydro-N-(phenylmethyl)-, (4S)- [ACD/Index Name]
Acide N-benzyl-2-[(4S)-3-(4-biphénylyl)-2-{[5-(diméthylamino)pentyl](méthyl)amino}-3,4-dihydro-4-quinazolinyl]éthanimidique [French] [ACD/IUPAC Name]
N-Benzyl-2-[(4S)-3-(4-biphenylyl)-2-{[5-(dimethylamino)pentyl](methyl)amino}-3,4-dihydro-4-chinazolinyl]ethanimidsäure [German] [ACD/IUPAC Name]
N-Benzyl-2-[(4S)-3-(4-biphenylyl)-2-{[5-(dimethylamino)pentyl](methyl)amino}-3,4-dihydro-4-quinazolinyl]ethanimidic acid [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 725.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 392.8±35.7 °C
Index of Refraction: 1.601
Molar Refractivity: 178.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 4.16
ACD/KOC (pH 7.4): 9.03
Polar Surface Area: 55 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 521.0±7.0 cm3

Click to predict properties on the Chemicalize site


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