ChemSpider 2D Image | Ethyl [(2S)-6-amino-1-{5-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}-1-oxo-2-hexanyl]carbamate | C28H33N5O5

Ethyl [(2S)-6-amino-1-{5-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}-1-oxo-2-hexanyl]carbamate

  • Molecular FormulaC28H33N5O5
  • Average mass519.592 Da
  • Monoisotopic mass519.248169 Da
  • ChemSpider ID5257041
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(2S)-6-Amino-1-{5-[4-(2,3-dihydro-1H-indén-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}-1-oxo-2-hexanyl]carbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-5-amino-1-[[5-[[4-[[(2,3-dihydro-1H-inden-2-yl)amino]carbonyl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]carbonyl]pentyl]-, ethyl ester [ACD/Index Name]
Ethyl [(2S)-6-amino-1-{5-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}-1-oxo-2-hexanyl]carbamate [ACD/IUPAC Name]
ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE
Ethyl-[(2S)-6-amino-1-{5-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}-1-oxo-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
C4A
CRA23

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: 1.615
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.45
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 149 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 401.2±5.0 cm3

Click to predict properties on the Chemicalize site






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