ChemSpider 2D Image | N-{4-[(2S)-3-{[2-(3,4-Dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}-N-methylmethanesulfonamide | C19H24Cl2N2O4S

N-{4-[(2S)-3-{[2-(3,4-Dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}-N-methylmethanesulfonamide

  • Molecular FormulaC19H24Cl2N2O4S
  • Average mass447.376 Da
  • Monoisotopic mass446.083374 Da
  • ChemSpider ID23342776

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Methanesulfonamide, N-[4-[(2S)-3-[[2-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropoxy]phenyl]-N-methyl- [ACD/Index Name]
N-{4-[(2S)-3-{[2-(3,4-Dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}-N-methylmethanesulfonamide [ACD/IUPAC Name]
N-{4-[(2S)-3-{[2-(3,4-Dichlorophényl)éthyl]amino}-2-hydroxypropoxy]phényl}-N-méthylméthanesulfonamide [French] [ACD/IUPAC Name]
N-{4-[(2S)-3-{[2-(3,4-Dichlorphenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}-N-methylmethansulfonamid [German] [ACD/IUPAC Name]
(S)-1-(4-(N-methyl)methanesulfonamidophenoxy)3-(3,4-dichlorophenylethylamino)-2-propanol
CHEMBL493452
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL493452/
N-(4-{[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]oxy}phenyl)-N-methylmethanesulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 609.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.4±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.06
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 9.25
ACD/KOC (pH 7.4): 75.49
Polar Surface Area: 87 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 329.8±3.0 cm3

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