ChemSpider 2D Image | Isopropyl [(2S,4R)-1-acetyl-6-(4-{[8-(hydroxyamino)-8-oxooctanoyl]amino}phenyl)-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl]carbamate | C30H40N4O6

Isopropyl [(2S,4R)-1-acetyl-6-(4-{[8-(hydroxyamino)-8-oxooctanoyl]amino}phenyl)-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl]carbamate

  • Molecular FormulaC30H40N4O6
  • Average mass552.662 Da
  • Monoisotopic mass552.294800 Da
  • ChemSpider ID34224293
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

[(2S,4R)-1-Acétyl-6-(4-{[8-(hydroxyamino)-8-oxooctanoyl]amino}phényl)-2-méthyl-1,2,3,4-tétrahydro-4-quinoléinyl]carbamate d'isopropyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(2S,4R)-1-acetyl-1,2,3,4-tetrahydro-6-[4-[[8-(hydroxyamino)-1,8-dioxooctyl]amino]phenyl]-2-methyl-4-quinolinyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl [(2S,4R)-1-acetyl-6-(4-{[8-(hydroxyamino)-8-oxooctanoyl]amino}phenyl)-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl]carbamate [ACD/IUPAC Name]
Isopropyl-[(2S,4R)-1-acetyl-6-(4-{[8-(hydroxyamino)-8-oxooctanoyl]amino}phenyl)-2-methyl-1,2,3,4-tetrahydro-4-chinolinyl]carbamat [German] [ACD/IUPAC Name]
Propan-2-Yl N-[(2s,4r)-1-Ethanoyl-2-Methyl-6-[4-[[8-(Oxidanylamino)-8-Oxidanylidene-Octanoyl]amino]phenyl]-3,4-Dihydro-2h-Quinolin-4-Yl]carbamate
IES

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 253.39
ACD/KOC (pH 5.5): 1829.05
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 251.28
ACD/KOC (pH 7.4): 1813.78
Polar Surface Area: 137 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 443.7±5.0 cm3

Click to predict properties on the Chemicalize site






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