ChemSpider 2D Image | (3S,3'R)-1-Benzyl-5-chloro-3'-methyl-5'-phenylspiro[indole-3,2'-pyran]-2,6'(1H,3'H)-dione | C26H20ClNO3

(3S,3'R)-1-Benzyl-5-chloro-3'-methyl-5'-phenylspiro[indole-3,2'-pyran]-2,6'(1H,3'H)-dione

  • Molecular FormulaC26H20ClNO3
  • Average mass429.895 Da
  • Monoisotopic mass429.113159 Da
  • ChemSpider ID30652060

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,3'R)-1-Benzyl-5-chlor-3'-methyl-5'-phenylspiro[indole-3,2'-pyran]-2,6'(1H,3'H)-dion [German] [ACD/IUPAC Name]
(3S,3'R)-1-Benzyl-5-chloro-3'-methyl-5'-phenylspiro[indole-3,2'-pyran]-2,6'(1H,3'H)-dione [ACD/IUPAC Name]
(3S,3'R)-1-Benzyl-5-chloro-3'-méthyl-5'-phénylspiro[indole-3,2'-pyran]-2,6'(1H,3'H)-dione [French] [ACD/IUPAC Name]
Spiro[3H-indole-3,2'-[2H]pyran]-2,6'(3'H,1H)-dione, 5-chloro-3'-methyl-5'-phenyl-1-(phenylmethyl)-, (3S,3'R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 724.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 391.9±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 119.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7393.95
ACD/KOC (pH 5.5): 20461.27
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7393.95
ACD/KOC (pH 7.4): 20461.27
Polar Surface Area: 47 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 313.3±5.0 cm3

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