ChemSpider 2D Image | (5R)-3-{[4-(1-Azepanylcarbonyl)-1-piperidinyl]methyl}-5-(4-bromophenyl)-5-methyl-2,4-imidazolidinedione | C23H31BrN4O3

(5R)-3-{[4-(1-Azepanylcarbonyl)-1-piperidinyl]methyl}-5-(4-bromophenyl)-5-methyl-2,4-imidazolidinedione

  • Molecular FormulaC23H31BrN4O3
  • Average mass491.421 Da
  • Monoisotopic mass490.157959 Da
  • ChemSpider ID62614757

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-3-{[4-(1-Azepanylcarbonyl)-1-piperidinyl]methyl}-5-(4-bromophenyl)-5-methyl-2,4-imidazolidinedione [ACD/IUPAC Name]
(5R)-3-{[4-(1-Azépanylcarbonyl)-1-pipéridinyl]méthyl}-5-(4-bromophényl)-5-méthyl-2,4-imidazolidinedione [French] [ACD/IUPAC Name]
(5R)-3-{[4-(1-Azepanylcarbonyl)-1-piperidinyl]methyl}-5-(4-bromphenyl)-5-methyl-2,4-imidazolidindion [German] [ACD/IUPAC Name]
2,4-Imidazolidinedione, 5-(4-bromophenyl)-3-[[4-[(hexahydro-1H-azepin-1-yl)carbonyl]-1-piperidinyl]methyl]-5-methyl-, (5R)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 120.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 17.37
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 26.93
ACD/KOC (pH 7.4): 203.73
Polar Surface Area: 73 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 361.3±3.0 cm3

Click to predict properties on the Chemicalize site


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