ChemSpider 2D Image | Masilukast | C31H32F3N3O5S

Masilukast

  • Molecular FormulaC31H32F3N3O5S
  • Average mass615.663 Da
  • Monoisotopic mass615.201477 Da
  • ChemSpider ID176761

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

136564-68-6 [RN]
1H-Indole-5-carboxamide, 3-[[2-methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-N-[(2R)-4,4,4-trifluoro-2-methylbutyl]- [ACD/Index Name]
2QJ3R1H23S
3-(2-Methoxy-4-{[(2-methylphenyl)sulfonyl]carbamoyl}benzyl)-1-methyl-N-[(2R)-4,4,4-trifluor-2-methylbutyl]-1H-indol-5-carboxamid [German] [ACD/IUPAC Name]
3-(2-Methoxy-4-{[(2-methylphenyl)sulfonyl]carbamoyl}benzyl)-1-methyl-N-[(2R)-4,4,4-trifluoro-2-methylbutyl]-1H-indole-5-carboxamide [ACD/IUPAC Name]
3-(2-Méthoxy-4-{[(2-méthylphényl)sulfonyl]carbamoyl}benzyl)-1-méthyl-N-[(2R)-4,4,4-trifluoro-2-méthylbutyl]-1H-indole-5-carboxamide [French] [ACD/IUPAC Name]
masilukast [Spanish] [INN]
masilukast [French] [INN]
Masilukast [INN]
masilukastum [Latin] [INN]
More...

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

8676 [DBID]
ZD-3523 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 157.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 1509.49
ACD/KOC (pH 5.5): 4289.21
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 90.45
ACD/KOC (pH 7.4): 257.02
Polar Surface Area: 115 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 468.7±7.0 cm3

Click to predict properties on the Chemicalize site


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