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Search term: GFHDSVUCETUKHU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(1S)-1-(3-Chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxy-2-butanyl]amino}-5-methyl-4-pyrimidinyl)-1H-pyrrole-2-carboxamide | C22H26ClN5O3

N-[(1S)-1-(3-Chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxy-2-butanyl]amino}-5-methyl-4-pyrimidinyl)-1H-pyrrole-2-carboxamide

  • Molecular FormulaC22H26ClN5O3
  • Average mass443.927 Da
  • Monoisotopic mass443.172424 Da
  • ChemSpider ID34949122

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]-5-methyl-4-pyrimidinyl]- [ACD/Index Name]
N-[(1S)-1-(3-Chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxy-2-butanyl]amino}-5-methyl-4-pyrimidinyl)-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-[(1S)-1-(3-Chlorophényl)-2-hydroxyéthyl]-4-(2-{[(2S)-1-hydroxy-2-butanyl]amino}-5-méthyl-4-pyrimidinyl)-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
N-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-4-(2-{[(2s)-1-Hydroxybutan-2-Yl]amino}-5-Methylpyrimidin-4-Yl)-1h-Pyrrole-2-Carboxamide
N-[(1S)-1-(3-Chlorphenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxy-2-butanyl]amino}-5-methyl-4-pyrimidinyl)-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
E57
erk000507

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: 1.650
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.73
ACD/KOC (pH 5.5): 604.71
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.51
ACD/KOC (pH 7.4): 624.37
Polar Surface Area: 123 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 330.4±3.0 cm3

Click to predict properties on the Chemicalize site


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