ChemSpider 2D Image | 1',3'-Dimethyl-3-[(4-methylphenyl)sulfonyl]-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione | C24H25N5O7S

1',3'-Dimethyl-3-[(4-methylphenyl)sulfonyl]-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

  • Molecular FormulaC24H25N5O7S
  • Average mass527.550 Da
  • Monoisotopic mass527.147461 Da
  • ChemSpider ID4465881

More details:

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

1',3'-Dimethyl-3-[(4-methylphenyl)sulfonyl]-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione [ACD/IUPAC Name]
Spiro[1H-pyrazino[1,2-a]quinoline-5(6H),5'(2'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione, 2,3,4,4a-tetrahydro-1',3'-dimethyl-3-[(4-methylphenyl)sulfonyl]-8-nitro- [ACD/Index Name]
1,3-dimethyl-9-[(4-methylphenyl)sulfonyl]-14-nitrospiro[1,3,5-trihydropyrimidine-5,5'-5,6,11,4a-tetrahydropiperazino[1,2-a]quinoline]-2,4,6-trione

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

A4085/0174124 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 730.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.3±35.7 °C
Index of Refraction: 1.714
Molar Refractivity: 131.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.56
ACD/KOC (pH 5.5): 970.70
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.56
ACD/KOC (pH 7.4): 970.70
Polar Surface Area: 153 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 84.8±5.0 dyne/cm
Molar Volume: 335.5±5.0 cm3

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