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Search term: LIOLGHUQUQDMDF (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-[(2R)-3-(Benzylsulfonyl)-1-oxo-1-{[(2S)-1-{[4-(trifluoromethoxy)phenyl]amino}-2-propanyl]amino}-2-propanyl]-4-morpholinecarboxamide | C25H31F3N4O6S

N-[(2R)-3-(Benzylsulfonyl)-1-oxo-1-{[(2S)-1-{[4-(trifluoromethoxy)phenyl]amino}-2-propanyl]amino}-2-propanyl]-4-morpholinecarboxamide

  • Molecular FormulaC25H31F3N4O6S
  • Average mass572.597 Da
  • Monoisotopic mass572.191650 Da
  • ChemSpider ID7826907
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

4-Morpholinecarboxamide, N-[(1R)-2-[[(1S)-1-methyl-2-[[4-(trifluoromethoxy)phenyl]amino]ethyl]amino]-2-oxo-1-[[(phenylmethyl)sulfonyl]methyl]ethyl]- [ACD/Index Name]
N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
N-[(2R)-3-(Benzylsulfonyl)-1-oxo-1-{[(2S)-1-{[4-(trifluormethoxy)phenyl]amino}-2-propanyl]amino}-2-propanyl]-4-morpholincarboxamid [German] [ACD/IUPAC Name]
N-[(2R)-3-(Benzylsulfonyl)-1-oxo-1-{[(2S)-1-{[4-(trifluoromethoxy)phenyl]amino}-2-propanyl]amino}-2-propanyl]-4-morpholinecarboxamide [ACD/IUPAC Name]
N-[(2R)-3-(Benzylsulfonyl)-1-oxo-1-{[(2S)-1-{[4-(trifluorométhoxy)phényl]amino}-2-propanyl]amino}-2-propanyl]-4-morpholinecarboxamide [French] [ACD/IUPAC Name]
GNQ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 846.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 465.9±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.07
ACD/KOC (pH 5.5): 555.58
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.28
ACD/KOC (pH 7.4): 558.09
Polar Surface Area: 134 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 420.3±3.0 cm3

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