ChemSpider 2D Image | PF-04965842 | C14H21N5O2S

PF-04965842

  • Molecular FormulaC14H21N5O2S
  • Average mass323.414 Da
  • Monoisotopic mass323.141602 Da
  • ChemSpider ID58824300
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1622902-68-4 [RN]
1-Propanesulfonamide, N-[cis-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]- [ACD/Index Name]
N-[cis-3-(Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-1-propanesulfonamide
N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}-1-propanesulfonamide [ACD/IUPAC Name]
N-{cis-3-[Méthyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}-1-propanesulfonamide [French] [ACD/IUPAC Name]
N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}-1-propansulfonamid [German] [ACD/IUPAC Name]
N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}-propane-1-sulfonamide
PF-04965842
1622902-68-4 (cis-isomer)
Abrocitinib
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

73SM5SF3OR [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 85.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.20
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.65
ACD/KOC (pH 7.4): 117.79
Polar Surface Area: 99 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 236.5±5.0 cm3

Click to predict properties on the Chemicalize site






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