ChemSpider 2D Image | (5E)-5-(Adamantan-1-ylimino)-3,3-dimethyl-1-(4-methylphenyl)-4-(4-thiomorpholinyl)-2-pyrrolidinone | C27H37N3OS

(5E)-5-(Adamantan-1-ylimino)-3,3-dimethyl-1-(4-methylphenyl)-4-(4-thiomorpholinyl)-2-pyrrolidinone

  • Molecular FormulaC27H37N3OS
  • Average mass451.667 Da
  • Monoisotopic mass451.265747 Da
  • ChemSpider ID22972156

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-(Adamantan-1-ylimino)-3,3-dimethyl-1-(4-methylphenyl)-4-(4-thiomorpholinyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
(5E)-5-(Adamantan-1-ylimino)-3,3-dimethyl-1-(4-methylphenyl)-4-(4-thiomorpholinyl)-2-pyrrolidinone [ACD/IUPAC Name]
(5E)-5-(Adamantan-1-ylimino)-3,3-diméthyl-1-(4-méthylphényl)-4-(4-thiomorpholinyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 3,3-dimethyl-1-(4-methylphenyl)-4-(4-thiomorpholinyl)-5-(tricyclo[3.3.1.13,7]dec-1-ylimino)-, (5E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.9±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 131.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3338.42
ACD/KOC (pH 5.5): 11482.04
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3439.39
ACD/KOC (pH 7.4): 11829.35
Polar Surface Area: 61 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 342.0±7.0 cm3

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