ChemSpider 2D Image | tert-butyl {[4'-({1-[2-bromo-5-(pentanoylamino)phenyl]-3-ethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)-3'-fluorobiphenyl-2-yl]sulfonyl}carbamate | C33H37BrFN5O6S

tert-butyl {[4'-({1-[2-bromo-5-(pentanoylamino)phenyl]-3-ethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)-3'-fluorobiphenyl-2-yl]sulfonyl}carbamate

  • Molecular FormulaC33H37BrFN5O6S
  • Average mass730.644 Da
  • Monoisotopic mass729.163208 Da
  • ChemSpider ID8029102

More details:

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

{[4'-({1-[2-Bromo-5-(pentanoylamino)phényl]-3-éthyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}méthyl)-3'-fluoro-2-biphénylyl]sulfonyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {[4'-({1-[2-bromo-5-(pentanoylamino)phenyl]-3-ethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)-3'-fluoro-2-biphenylyl]sulfonyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{[4'-({1-[2-brom-5-(pentanoylamino)phenyl]-3-ethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)-3'-fluor-2-biphenylyl]sulfonyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[4'-[[1-[2-bromo-5-[(1-oxopentyl)amino]phenyl]-3-ethyl-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]methyl]-3'-fluoro[1,1'-biphenyl]-2-yl]sulfonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl {[4'-({1-[2-bromo-5-(pentanoylamino)phenyl]-3-ethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)-3'-fluorobiphenyl-2-yl]sulfonyl}carbamate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL338027/
L-163958
tert-butyl N-{[2-(4-{[1-(2-bromo-5-pentanamidophenyl)-3-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl]methyl}-3-fluorophenyl)benzene]sulfonyl}carbamate

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: 1.619
Molar Refractivity: 182.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 1428.30
ACD/KOC (pH 5.5): 3151.08
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 181.35
ACD/KOC (pH 7.4): 400.10
Polar Surface Area: 146 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 519.3±7.0 cm3

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