ChemSpider 2D Image | (4R)-2-Amino-1-anilino-4-[4-(benzyloxy)-3-methoxyphenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile | C32H32N4O3

(4R)-2-Amino-1-anilino-4-[4-(benzyloxy)-3-methoxyphenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID1415306

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2-Amino-1-anilino-4-[4-(benzyloxy)-3-methoxyphenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
(4R)-2-Amino-1-anilino-4-[4-(benzyloxy)-3-méthoxyphényl]-7,7-diméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
(4R)-2-Amino-1-anilino-4-[4-(benzyloxy)-3-methoxyphenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-1,4,5,6,7,8-hexahydro-4-[3-methoxy-4-(phenylmethoxy)phenyl]-7,7-dimethyl-5-oxo-1-(phenylamino)-, (4R)- [ACD/Index Name]

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

ZINC02170050 [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: 712.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.8±35.7 °C
Index of Refraction: 1.665
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8365.13
ACD/KOC (pH 5.5): 21452.11
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9646.00
ACD/KOC (pH 7.4): 24736.82
Polar Surface Area: 101 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 405.1±5.0 cm3

Click to predict properties on the Chemicalize site


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