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Search term: KAQWYRBKYUAJGJ-GOSISDBHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{(3R)-3-[(3,3-Difluoro-1-pyrrolidinyl)carbonyl]-1-pyrrolidinyl}-N-[4-({4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}sulfanyl)phenyl]acetamide | C27H29F2N9O2S

2-{(3R)-3-[(3,3-Difluoro-1-pyrrolidinyl)carbonyl]-1-pyrrolidinyl}-N-[4-({4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}sulfanyl)phenyl]acetamide

  • Molecular FormulaC27H29F2N9O2S
  • Average mass581.640 Da
  • Monoisotopic mass581.213318 Da
  • ChemSpider ID28643936

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Pyrrolidineacetamide, 3-[(3,3-difluoro-1-pyrrolidinyl)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]
2-{(3R)-3-[(3,3-Difluor-1-pyrrolidinyl)carbonyl]-1-pyrrolidinyl}-N-[4-({4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}sulfanyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-{(3R)-3-[(3,3-Difluoro-1-pyrrolidinyl)carbonyl]-1-pyrrolidinyl}-N-[4-({4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}sulfanyl)phenyl]acetamide [ACD/IUPAC Name]
2-{(3R)-3-[(3,3-Difluoro-1-pyrrolidinyl)carbonyl]-1-pyrrolidinyl}-N-[4-({4-[(5-méthyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}sulfanyl)phényl]acétamide [French] [ACD/IUPAC 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: 1.741
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 22.31
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 38.50
ACD/KOC (pH 7.4): 438.57
Polar Surface Area: 149 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 375.3±7.0 cm3

Click to predict properties on the Chemicalize site


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