Found 1 result

Search term: LWOMHNWWEBISDH-NSGJQZOKSA-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-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide | C33H47N5O5S

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

  • Molecular FormulaC33H47N5O5S
  • Average mass625.822 Da
  • Monoisotopic mass625.329773 Da
  • ChemSpider ID28668382

  • 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-methyl-, 2,2-dioxide [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-méthyl-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-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)-1-{[(2S,3S)-3-hydroxy-1-(isobutylamino)-1-oxo-2-hexanyl]amino}-3-phenyl-2-propanyl]-1-methyl-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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 172.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 58.68
ACD/KOC (pH 5.5): 450.33
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.06
ACD/KOC (pH 7.4): 1520.02
Polar Surface Area: 141 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 492.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement