ChemSpider 2D Image | 2-{[(Z)-2-(4-Chlorophenyl)-2-hydroxyvinyl]sulfanyl}-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one | C31H33ClN2O2S

2-{[(Z)-2-(4-Chlorophenyl)-2-hydroxyvinyl]sulfanyl}-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

  • Molecular FormulaC31H33ClN2O2S
  • Average mass533.124 Da
  • Monoisotopic mass532.195129 Da
  • ChemSpider ID95559359

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(Z)-2-(4-Chlorophenyl)-2-hydroxyvinyl]sulfanyl}-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one [ACD/IUPAC Name]
Spiro[benzo[h]quinazoline-5(3H),1'-cyclohexan]-4(6H)-one, 2-[[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]thio]-3-cyclohexyl- [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: 706.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 381.0±35.7 °C
Index of Refraction: 1.686
Molar Refractivity: 151.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 10.14
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 635478.81
ACD/KOC (pH 5.5): 495793.75
ACD/LogD (pH 7.4): 7.90
ACD/BCF (pH 7.4): 587274.00
ACD/KOC (pH 7.4): 458184.91
Polar Surface Area: 78 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 399.1±7.0 cm3

Click to predict properties on the Chemicalize site


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