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Search term: MXHHONGZVDTFNW-LJQANCHMSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R)-N-Cyclopentyl-1-(2-{[4-({4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}sulfanyl)phenyl]amino}-2-oxoethyl)-3-pyrrolidinecarboxamide | C28H33N9O2S

(3R)-N-Cyclopentyl-1-(2-{[4-({4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}sulfanyl)phenyl]amino}-2-oxoethyl)-3-pyrrolidinecarboxamide

  • Molecular FormulaC28H33N9O2S
  • Average mass559.686 Da
  • Monoisotopic mass559.247803 Da
  • ChemSpider ID28643839

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-N-Cyclopentyl-1-(2-{[4-({4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}sulfanyl)phenyl]amino}-2-oxoethyl)-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3R)-N-Cyclopentyl-1-(2-{[4-({4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}sulfanyl)phenyl]amino}-2-oxoethyl)-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3R)-N-Cyclopentyl-1-(2-{[4-({4-[(5-méthyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}sulfanyl)phényl]amino}-2-oxoéthyl)-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1-Pyrrolidineacetamide, 3-[(cyclopentylamino)carbonyl]-N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]thio]phenyl]-, (3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.766
Molar Refractivity: 154.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 38.44
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 58.60
ACD/KOC (pH 7.4): 603.69
Polar Surface Area: 158 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 374.2±7.0 cm3

Click to predict properties on the Chemicalize site


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