ChemSpider 2D Image | 1-{4-[(1S)-1-Amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea | C19H18ClFN4O2S

1-{4-[(1S)-1-Amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea

  • Molecular FormulaC19H18ClFN4O2S
  • Average mass420.888 Da
  • Monoisotopic mass420.082306 Da
  • ChemSpider ID25057834

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{4-[(1S)-1-Amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chlor-4-fluorphenyl)harnstoff [German] [ACD/IUPAC Name]
1-{4-[(1S)-1-Amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea [ACD/IUPAC Name]
1-{4-[(1S)-1-Amino-2-(benzyloxy)éthyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophényl)urée [French] [ACD/IUPAC Name]
Urea, N-[4-[(1S)-1-amino-2-(phenylmethoxy)ethyl]-2-thiazolyl]-N'-(3-chloro-4-fluorophenyl)- [ACD/Index Name]
HIZ

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 16.07
ACD/KOC (pH 5.5): 106.15
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 4.84
ACD/KOC (pH 7.4): 31.98
Polar Surface Area: 118 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 289.5±3.0 cm3

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