ChemSpider 2D Image | (4S)-6'-Chloro-3'-methyl-1'H,2H,5H-spiro[imidazolidine-4,4'-quinazoline]-2,2',5(3'H)-trione | C11H9ClN4O3

(4S)-6'-Chloro-3'-methyl-1'H,2H,5H-spiro[imidazolidine-4,4'-quinazoline]-2,2',5(3'H)-trione

  • Molecular FormulaC11H9ClN4O3
  • Average mass280.667 Da
  • Monoisotopic mass280.036316 Da
  • ChemSpider ID23157000
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-6'-Chlor-3'-methyl-1'H,2H,5H-spiro[imidazolidine-4,4'-quinazoline]-2,2',5(3'H)-trion [German] [ACD/IUPAC Name]
(4S)-6'-Chloro-3'-methyl-1'H,2H,5H-spiro[imidazolidine-4,4'-quinazoline]-2,2',5(3'H)-trione [ACD/IUPAC Name]
(4S)-6'-Chloro-3'-méthyl-1'H,2H,5H-spiro[imidazolidine-4,4'-quinazoline]-2,2',5(3'H)-trione [French] [ACD/IUPAC Name]
Spiro[imidazolidine-4,4'(1'H)-quinazoline]-2,2',5(3'H)-trione, 6'-chloro-3'-methyl-, (4S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 65.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.15
ACD/KOC (pH 5.5): 60.12
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 57.68
Polar Surface Area: 91 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 83.5±5.0 dyne/cm
Molar Volume: 166.5±5.0 cm3

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