ChemSpider 2D Image | 5'-Methyl-4'-oxo-7'-phenyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinazoline]-8'-carbonitrile | C21H21N3O

5'-Methyl-4'-oxo-7'-phenyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinazoline]-8'-carbonitrile

  • Molecular FormulaC21H21N3O
  • Average mass331.411 Da
  • Monoisotopic mass331.168457 Da
  • ChemSpider ID30656785

More details:

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

5'-Methyl-4'-oxo-7'-phenyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinazoline]-8'-carbonitril [German] [ACD/IUPAC Name]
5'-Methyl-4'-oxo-7'-phenyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinazoline]-8'-carbonitrile [ACD/IUPAC Name]
5'-Méthyl-4'-oxo-7'-phényl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinazoline]-8'-carbonitrile [French] [ACD/IUPAC Name]
Spiro[cyclohexane-1,2'(1'H)-quinazoline]-8'-carbonitrile, 3',4'-dihydro-5'-methyl-4'-oxo-7'-phenyl- [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: 653.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.8±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 443.21
ACD/KOC (pH 5.5): 2729.29
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 443.21
ACD/KOC (pH 7.4): 2729.29
Polar Surface Area: 65 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 264.1±5.0 cm3

Click to predict properties on the Chemicalize site


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