ChemSpider 2D Image | (2R,4S)-1-[2-(4-{[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)-4-piperidinol | C23H25Cl2N3O2S

(2R,4S)-1-[2-(4-{[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)-4-piperidinol

  • Molecular FormulaC23H25Cl2N3O2S
  • Average mass478.435 Da
  • Monoisotopic mass477.104462 Da
  • ChemSpider ID30822990

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4S)-1-[2-(4-{[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)-4-piperidinol [ACD/IUPAC Name]
(2R,4S)-1-[2-(4-{[4-(3,4-Dichlorophényl)-1,3-thiazol-2-yl]amino}phényl)éthyl]-2-(hydroxyméthyl)-4-pipéridinol [French] [ACD/IUPAC Name]
(2r,4s)-1-[2-(4-{[4-(3,4-Dichlorophenyl)-1,3-Thiazol-2-Yl]amino}phenyl)ethyl]-2-(Hydroxymethyl)piperidin-4-Ol
(2R,4S)-1-[2-(4-{[4-(3,4-Dichlorphenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)-4-piperidinol [German] [ACD/IUPAC Name]
2-Piperidinemethanol, 1-[2-[4-[[4-(3,4-dichlorophenyl)-2-thiazolyl]amino]phenyl]ethyl]-4-hydroxy-, (2R,4S)- [ACD/Index Name]
1448706-15-7 [RN]
1V2
Amgen-23

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 361.2±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 128.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 2.27
ACD/KOC (pH 5.5): 10.88
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 103.11
ACD/KOC (pH 7.4): 494.75
Polar Surface Area: 97 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 349.3±3.0 cm3

Click to predict properties on the Chemicalize site


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