Found 1 result

Search term: WPEFUXWXSZSMFS-NAYUSWPISA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 7-Ethyl-N-[(2S)-1-{[(2S,3S)-3-hydroxy-1-(isobutylamino)-1-oxo-2-hexanyl]amino}-3-phenyl-2-propanyl]-1,3,3-trimethyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide | C35H51N5O5S

7-Ethyl-N-[(2S)-1-{[(2S,3S)-3-hydroxy-1-(isobutylamino)-1-oxo-2-hexanyl]amino}-3-phenyl-2-propanyl]-1,3,3-trimethyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide

  • Molecular FormulaC35H51N5O5S
  • Average mass653.875 Da
  • Monoisotopic mass653.361084 Da
  • ChemSpider ID28661953

  • defined stereocentres - 3 of 3 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)-2-[[(1S,2S)-2-hydroxy-1-[[(2-methylpropyl)amino]carbonyl]pentyl]amino]-1-(phenylmethyl)ethyl]-1,3,3-trimethyl-, 2,2-d ioxide [ACD/Index Name]
2,2-Dioxyde de 7-éthyl-N-[(2S)-1-{[(2S,3S)-3-hydroxy-1-(isobutylamino)-1-oxo-2-hexanyl]amino}-3-phényl-2-propanyl]-1,3,3-triméthyl-3,4-dihydro-1H-[1,2,5]thiadiazépino[3,4,5-hi]indole-9-carboxamide [French] [ACD/IUPAC Name]
7-Ethyl-N-[(2S)-1-{[(2S,3S)-3-hydroxy-1-(isobutylamino)-1-oxo-2-hexanyl]amino}-3-phenyl-2-propanyl]-1,3,3-trimethyl-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)-1-{[(2S,3S)-3-hydroxy-1-(isobutylamino)-1-oxo-2-hexanyl]amino}-3-phenyl-2-propanyl]-1,3,3-trimethyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 182.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 387.45
ACD/KOC (pH 5.5): 1738.97
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1307.81
ACD/KOC (pH 7.4): 5869.74
Polar Surface Area: 141 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 527.8±7.0 cm3

Click to predict properties on the Chemicalize site


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