ChemSpider 2D Image | 2-[({[3-(4-Chlorobenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinyl]carbonyl}amino)methyl]-1-ethylpyrrolidinium | C23H26ClN4O2S

2-[({[3-(4-Chlorobenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinyl]carbonyl}amino)methyl]-1-ethylpyrrolidinium

  • Molecular FormulaC23H26ClN4O2S
  • Average mass457.996 Da
  • Monoisotopic mass457.145935 Da
  • ChemSpider ID21223969

  • Charge - Charge

More details:

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

2-[({[3-(4-Chlorbenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-chinazolinyl]carbonyl}amino)methyl]-1-ethylpyrrolidinium [German] [ACD/IUPAC Name]
2-[({[3-(4-Chlorobenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinyl]carbonyl}amino)methyl]-1-ethylpyrrolidinium [ACD/IUPAC Name]
2-[({[3-(4-Chlorobenzyl)-4-oxo-2-thioxo-1,2,3,4-tétrahydro-7-quinazolinyl]carbonyl}amino)méthyl]-1-éthylpyrrolidinium [French] [ACD/IUPAC Name]
Pyrrolidinium, 2-[[[[3-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydro-4-oxo-2-thioxo-7-quinazolinyl]carbonyl]amino]methyl]-1-ethyl- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.53
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

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