ChemSpider 2D Image | (4R,7S)-2-Amino-4-(4-methoxyphenyl)-7-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile | C27H22N2O3

(4R,7S)-2-Amino-4-(4-methoxyphenyl)-7-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

  • Molecular FormulaC27H22N2O3
  • Average mass422.475 Da
  • Monoisotopic mass422.163055 Da
  • ChemSpider ID59053137

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,7S)-2-Amino-4-(4-methoxyphenyl)-7-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-carbonitril [German] [ACD/IUPAC Name]
(4R,7S)-2-Amino-4-(4-methoxyphenyl)-7-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile [ACD/IUPAC Name]
(4R,7S)-2-Amino-4-(4-méthoxyphényl)-7-(1-naphtyl)-5-oxo-5,6,7,8-tétrahydro-4H-chromène-3-carbonitrile [French] [ACD/IUPAC Name]
4H-1-Benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(1-naphthalenyl)-5-oxo-, (4R,7S)- [ACD/Index Name]
2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile
6Z6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 121.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 898.59
ACD/KOC (pH 5.5): 4519.73
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 903.26
ACD/KOC (pH 7.4): 4543.22
Polar Surface Area: 85 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 318.1±5.0 cm3

Click to predict properties on the Chemicalize site


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