ChemSpider 2D Image | N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[3-(Trifluoromethyl)benzyl]amino}propyl]-3-(1,1-Dioxido-1,2-Thiazinan-2-Yl)-5-(Ethylamino)benzamide | C31H37F3N4O4S

N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[3-(Trifluoromethyl)benzyl]amino}propyl]-3-(1,1-Dioxido-1,2-Thiazinan-2-Yl)-5-(Ethylamino)benzamide

  • Molecular FormulaC31H37F3N4O4S
  • Average mass618.710 Da
  • Monoisotopic mass618.248779 Da
  • ChemSpider ID23313492
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-(1,1-Dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluormethyl)benzyl]amino}-2-butanyl]benzamid [German] [ACD/IUPAC Name]
3-(1,1-Dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]benzamide [ACD/IUPAC Name]
3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]benzamide
3-(1,1-Dioxydo-1,2-thiazinan-2-yl)-5-(éthylamino)-N-[(2S,3R)-3-hydroxy-1-phényl-4-{[3-(trifluorométhyl)benzyl]amino}-2-butanyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-(ethylamino)-N-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methyl]amino]propyl]-5-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)- [ACD/Index Name]
N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[3-(Trifluoromethyl)benzyl]amino}propyl]-3-(1,1-Dioxido-1,2-Thiazinan-2-Yl)-5-(Ethylamino)benzamide
CM8
N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-trifluoromethyl-benzylamino)-propyl]-3-(1,1-dioxo-1λ*6*-[1,2]thiazinan-2-yl)-5-ethylamino-benzamide
sultam hydroxyethylamine (HEA) derivative, 1

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 7.03
ACD/KOC (pH 5.5): 25.89
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 343.69
ACD/KOC (pH 7.4): 1265.48
Polar Surface Area: 119 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 472.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement