ChemSpider 2D Image | N-{(3S)-3-(Acetamidomethyl)-1-[(3-methylphenyl)sulfonyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl}-2-chloro-6-fluorobenzamide | C24H22ClFN4O5S

N-{(3S)-3-(Acetamidomethyl)-1-[(3-methylphenyl)sulfonyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl}-2-chloro-6-fluorobenzamide

  • Molecular FormulaC24H22ClFN4O5S
  • Average mass532.972 Da
  • Monoisotopic mass532.098328 Da
  • ChemSpider ID129015131

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(3S)-3-[(acetylamino)methyl]-2,3-dihydro-1-[(3-methylphenyl)sulfonyl]-1H-pyrido[2,3-b][1,4]oxazin-7-yl]-2-chloro-6-fluoro- [ACD/Index Name]
N-{(3S)-3-(Acetamidomethyl)-1-[(3-methylphenyl)sulfonyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl}-2-chlor-6-fluorbenzamid [German] [ACD/IUPAC Name]
N-{(3S)-3-(Acetamidomethyl)-1-[(3-methylphenyl)sulfonyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl}-2-chloro-6-fluorobenzamide [ACD/IUPAC Name]
N-{(3S)-3-(Acétamidométhyl)-1-[(3-méthylphényl)sulfonyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl}-2-chloro-6-fluorobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 131.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.06
ACD/KOC (pH 5.5): 368.89
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.03
ACD/KOC (pH 7.4): 368.49
Polar Surface Area: 126 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 370.2±3.0 cm3

Click to predict properties on the Chemicalize site


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