ChemSpider 2D Image | 2-{4-[(4-{[3-(Acryloylamino)phenyl]amino}-5-fluoro-2-pyrimidinyl)amino]phenoxy}ethyl ethylcarbamodithioate | C24H25FN6O2S2

2-{4-[(4-{[3-(Acryloylamino)phenyl]amino}-5-fluoro-2-pyrimidinyl)amino]phenoxy}ethyl ethylcarbamodithioate

  • Molecular FormulaC24H25FN6O2S2
  • Average mass512.623 Da
  • Monoisotopic mass512.146423 Da
  • ChemSpider ID128712640

More details:

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

2-{4-[(4-{[3-(Acryloylamino)phenyl]amino}-5-fluor-2-pyrimidinyl)amino]phenoxy}ethyl-ethylcarbamodithioat [German] [ACD/IUPAC Name]
2-{4-[(4-{[3-(Acryloylamino)phenyl]amino}-5-fluoro-2-pyrimidinyl)amino]phenoxy}ethyl ethylcarbamodithioate [ACD/IUPAC Name]
Carbamodithioic acid, N-ethyl-, 2-[4-[[5-fluoro-4-[[3-[(1-oxo-2-propen-1-yl)amino]phenyl]amino]-2-pyrimidinyl]amino]phenoxy]ethyl ester [ACD/Index Name]
Éthylcarbamodithioate de 2-{4-[(4-{[3-(acryloylamino)phényl]amino}-5-fluoro-2-pyrimidinyl)amino]phénoxy}éthyle [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: 1.694
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 658.22
ACD/KOC (pH 5.5): 3514.95
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 730.70
ACD/KOC (pH 7.4): 3902.03
Polar Surface Area: 158 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 374.7±3.0 cm3

Click to predict properties on the Chemicalize site


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