ChemSpider 2D Image | BMS-194449 | C24H24F4N2O6S

BMS-194449

  • Molecular FormulaC24H24F4N2O6S
  • Average mass544.516 Da
  • Monoisotopic mass544.129089 Da
  • ChemSpider ID8047802
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

170686-12-1 [RN]
BMS-194449
Methanesulfonamide, N-[5-[(1R)-2-[[bis[4-(difluoromethoxy)phenyl]methyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]- [ACD/Index Name]
N-{5-[(1R)-2-({Bis[4-(difluormethoxy)phenyl]methyl}amino)-1-hydroxyethyl]-2-hydroxyphenyl}methansulfonamid [German] [ACD/IUPAC Name]
N-{5-[(1R)-2-({Bis[4-(difluoromethoxy)phenyl]methyl}amino)-1-hydroxyethyl]-2-hydroxyphenyl}methanesulfonamide [ACD/IUPAC Name]
N-{5-[(1R)-2-({Bis[4-(difluorométhoxy)phényl]méthyl}amino)-1-hydroxyéthyl]-2-hydroxyphényl}méthanesulfonamide [French] [ACD/IUPAC Name]
(R)-N-(5-(2-(bis(4-(difluoromethoxy)phenyl)methylamino)-1-hydroxyethyl)-2-hydroxyphenyl)methanesulfonamide
CHEMBL320915
N-[5-((R)-2-{[Bis-(4-difluoromethoxy-phenyl)-methyl]-amino}-1-hydroxy-ethyl)-2-hydroxy-phenyl]-methanesulfonamide
N-[5-[(1R)-2-[bis[4-(difluoromethoxy)phenyl]methylamino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

93ZDV2P17I [DBID]
UNII:93ZDV2P17I [DBID]
UNII-93ZDV2P17I [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 670.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.2±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 19.08
ACD/KOC (pH 5.5): 160.04
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 129.56
ACD/KOC (pH 7.4): 1086.73
Polar Surface Area: 126 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 379.8±3.0 cm3

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