ChemSpider 2D Image | N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[3-(Trifluoromethyl)benzyl]amino}propyl]-7-Ethyl-1-Methyl-3,4-Dihydro-1h-[1,2,5]thiadiazepino[3,4,5-Hi]indole-9-Carboxamide 2,2-Dioxide | C32H35F3N4O4S

N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[3-(Trifluoromethyl)benzyl]amino}propyl]-7-Ethyl-1-Methyl-3,4-Dihydro-1h-[1,2,5]thiadiazepino[3,4,5-Hi]indole-9-Carboxamide 2,2-Dioxide

  • Molecular FormulaC32H35F3N4O4S
  • Average mass628.705 Da
  • Monoisotopic mass628.233093 Da
  • ChemSpider ID9471843

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-[1,2,5]Thiadiazepino[3,4,5-hi]indole-9-carboxamide, 7-ethyl-3,4-dihydro-N-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methyl]amino]propyl]-1-methyl-, 2,2-dioxide [ACD/Index Name]
2,2-Dioxyde de 7-éthyl-N-[(2S,3R)-3-hydroxy-1-phényl-4-{[3-(trifluorométhyl)benzyl]amino}-2-butanyl]-1-méthyl-3,4-dihydro-1H-[1,2,5]thiadiazépino[3,4,5-hi]indole-9-carboxamide [French] [ACD/IUPAC Name]
7-Ethyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluormethyl)benzyl]amino}-2-butanyl]-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indol-9-carboxamid-2,2-dioxid [German] [ACD/IUPAC Name]
7-Ethyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide [ACD/IUPAC Name]
N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[3-(Trifluoromethyl)benzyl]amino}propyl]-7-Ethyl-1-Methyl-3,4-Dihydro-1h-[1,2,5]thiadiazepino[3,4,5-Hi]indole-9-Carboxamide 2,2-Dioxide
CM7

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 162.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 17.30
ACD/KOC (pH 5.5): 53.07
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 877.61
ACD/KOC (pH 7.4): 2691.67
Polar Surface Area: 112 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 462.3±7.0 cm3

Click to predict properties on the Chemicalize site


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