ChemSpider 2D Image | N-[(3S)-1-{2-Fluoro-4-[(5S)-5-{[(isopropylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}-3-pyrrolidinyl]acetamide | C19H27FN4O4S

N-[(3S)-1-{2-Fluoro-4-[(5S)-5-{[(isopropylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}-3-pyrrolidinyl]acetamide

  • Molecular FormulaC19H27FN4O4S
  • Average mass426.505 Da
  • Monoisotopic mass426.173706 Da
  • ChemSpider ID31132711
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Acetamide, N-[(3S)-1-[4-[(5S)-4,5-dihydro-5-[[[(1-methylethyl)sulfonyl]amino]methyl]-3-isoxazolyl]-2-fluorophenyl]-3-pyrrolidinyl]- [ACD/Index Name]
N-[(3S)-1-{2-Fluor-4-[(5S)-5-{[(isopropylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}-3-pyrrolidinyl]acetamid [German] [ACD/IUPAC Name]
N-[(3S)-1-{2-Fluoro-4-[(5S)-5-{[(isopropylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}-3-pyrrolidinyl]acetamide [ACD/IUPAC Name]
N-[(3S)-1-{2-Fluoro-4-[(5S)-5-{[(isopropylsulfonyl)amino]méthyl}-4,5-dihydro-1,2-oxazol-3-yl]phényl}-3-pyrrolidinyl]acétamide [French] [ACD/IUPAC Name]
N-[(3s)-1-{2-Fluoro-4-[(5s)-5-{[(Propan-2-Ylsulfonyl)amino]methyl}-4,5-Dihydro-1,2-Oxazol-3-Yl]phenyl}pyrrolidin-3-Yl]acetamide

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: 1.626
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.70
ACD/KOC (pH 5.5): 135.47
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.77
ACD/KOC (pH 7.4): 136.77
Polar Surface Area: 108 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 302.0±7.0 cm3

Click to predict properties on the Chemicalize site






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