ChemSpider 2D Image | Nalpha-[4-Chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl]-4-fluoro-N-8-quinolinylphenylalaninamide | C29H26ClFN4O4S

Nα-[4-Chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl]-4-fluoro-N-8-quinolinylphenylalaninamide

  • Molecular FormulaC29H26ClFN4O4S
  • Average mass581.057 Da
  • Monoisotopic mass580.134705 Da
  • ChemSpider ID120711156

More details:

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

Benzenepropanamide, α-[[4-chloro-3-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)benzoyl]amino]-4-fluoro-N-8-quinolinyl- [ACD/Index Name]
N-8-Chinolinyl-Nα-[4-chlor-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl]-4-fluorphenylalaninamid [German] [ACD/IUPAC Name]
Nα-[4-Chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoyl]-4-fluoro-N-8-quinolinylphenylalaninamide [ACD/IUPAC Name]
Nα-[4-Chloro-3-(1,1-dioxydo-1,2-thiazinan-2-yl)benzoyl]-4-fluoro-N-8-quinoléinylphénylalaninamide [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: 1.668
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 890.94
ACD/KOC (pH 5.5): 4497.68
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 891.70
ACD/KOC (pH 7.4): 4501.50
Polar Surface Area: 117 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 407.2±3.0 cm3

Click to predict properties on the Chemicalize site


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