ChemSpider 2D Image | Benzyl [(1S,2S)-6-amino-1-hydroxy-1-(5-{[4-(4-phenylbutanoyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-2-hexanyl]carbamate | C31H42N6O5

Benzyl [(1S,2S)-6-amino-1-hydroxy-1-(5-{[4-(4-phenylbutanoyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-2-hexanyl]carbamate

  • Molecular FormulaC31H42N6O5
  • Average mass578.702 Da
  • Monoisotopic mass578.321655 Da
  • ChemSpider ID10015415

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1S,2S)-6-Amino-1-hydroxy-1-(5-{[4-(4-phénylbutanoyl)-1-pipérazinyl]méthyl}-1,2,4-oxadiazol-3-yl)-2-hexanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(1S,2S)-6-amino-1-hydroxy-1-(5-{[4-(4-phenylbutanoyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-2-hexanyl]carbamate [ACD/IUPAC Name]
BENZYL {(1S)-5-AMINO-1-[(S)-HYDROXY(5-{[4-(4-PHENYLBUTANOYL)PIPERAZIN-1-YL]METHYL}-1,2,4-OXADIAZOL-3-YL)METHYL]PENTYL}CARBAMATE
Benzyl-[(1S,2S)-6-amino-1-hydroxy-1-(5-{[4-(4-phenylbutanoyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-5-amino-1-[(S)-hydroxy[5-[[4-(1-oxo-4-phenylbutyl)-1-piperazinyl]methyl]-1,2,4-oxadiazol-3-yl]methyl]pentyl]-, phenylmethyl ester [ACD/Index Name]
5AM

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: 1.592
Molar Refractivity: 158.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.95
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 468.3±3.0 cm3

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