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ChemSpider 2D Image | N-Hydroxy-7-({1-[4-(4-{[(1R)-1-phenylethyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzyl]-4-piperidinyl}amino)heptanamide | C33H43N7O2

N-Hydroxy-7-({1-[4-(4-{[(1R)-1-phenylethyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzyl]-4-piperidinyl}amino)heptanamide

  • Molecular FormulaC33H43N7O2
  • Average mass569.740 Da
  • Monoisotopic mass569.347839 Da
  • ChemSpider ID76770730

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Heptanamide, N-hydroxy-7-[[1-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]-4-piperidinyl]amino]- [ACD/Index Name]
N-Hydroxy-7-({1-[4-(4-{[(1R)-1-phenylethyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzyl]-4-piperidinyl}amino)heptanamid [German] [ACD/IUPAC Name]
N-Hydroxy-7-({1-[4-(4-{[(1R)-1-phenylethyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzyl]-4-piperidinyl}amino)heptanamide [ACD/IUPAC Name]
N-Hydroxy-7-({1-[4-(4-{[(1R)-1-phényléthyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzyl]-4-pipéridinyl}amino)heptanamide [French] [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: 1.655
Molar Refractivity: 167.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.25
Polar Surface Area: 118 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 455.6±5.0 cm3

Click to predict properties on the Chemicalize site


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