ChemSpider 2D Image | N-[2-(4-{[(4R)-4-Phenyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenyl)ethyl]-1,3-benzothiazol-2-amine | C24H22N4S2

N-[2-(4-{[(4R)-4-Phenyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenyl)ethyl]-1,3-benzothiazol-2-amine

  • Molecular FormulaC24H22N4S2
  • Average mass430.588 Da
  • Monoisotopic mass430.128601 Da
  • ChemSpider ID24659438

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Benzothiazolamine, N-[2-[4-[[(4R)-4,5-dihydro-4-phenyl-2-thiazolyl]amino]phenyl]ethyl]- [ACD/Index Name]
N-[2-(4-{[(4R)-4-Phenyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenyl)ethyl]-1,3-benzothiazol-2-amin [German] [ACD/IUPAC Name]
N-[2-(4-{[(4R)-4-Phenyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenyl)ethyl]-1,3-benzothiazol-2-amine [ACD/IUPAC Name]
N-[2-(4-{[(4R)-4-Phényl-4,5-dihydro-1,3-thiazol-2-yl]amino}phényl)éthyl]-1,3-benzothiazol-2-amine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.7±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 128.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 1828.21
ACD/KOC (pH 5.5): 5012.12
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7339.99
ACD/KOC (pH 7.4): 20122.94
Polar Surface Area: 103 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 324.0±7.0 cm3

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