ChemSpider 2D Image | Afuresertib | C18H17Cl2FN4OS

Afuresertib

  • Molecular FormulaC18H17Cl2FN4OS
  • Average mass427.323 Da
  • Monoisotopic mass426.048401 Da
  • ChemSpider ID28651809
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1047644-62-1 [RN]
2-Thiophenecarboxamide, N-[(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)- [ACD/Index Name]
8739X25QI3
9666
afuresertib [Spanish] [INN]
Afuresertib [INN] [USAN]
afurésertib [French] [INN]
afuresertibum [Latin] [INN]
N-[(2S)-1-Amino-3-(3-fluorophenyl)-2-propanyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-(3-fluorophényl)-2-propanyl]-5-chloro-4-(4-chloro-1-méthyl-1H-pyrazol-5-yl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GSK2110183C [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 535.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.4±30.1 °C
Index of Refraction: 1.674
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 5.41
ACD/KOC (pH 7.4): 51.45
Polar Surface Area: 101 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 286.2±7.0 cm3

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