ChemSpider 2D Image | 1-{[(5R,6S)-5,6-Bis(4-chlorophenyl)-3-isopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-4-piperidinecarboxamide | C29H32Cl2N4O2S

1-{[(5R,6S)-5,6-Bis(4-chlorophenyl)-3-isopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-4-piperidinecarboxamide

  • Molecular FormulaC29H32Cl2N4O2S
  • Average mass571.561 Da
  • Monoisotopic mass570.162292 Da
  • ChemSpider ID28666915

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{[(5R,6S)-5,6-Bis(4-chlorophenyl)-3-isopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-4-piperidinecarboxamide [ACD/IUPAC Name]
1-{[(5R,6S)-5,6-Bis(4-chlorophényl)-3-isopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-diméthyl-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-{[(5R,6S)-5,6-Bis(4-chlorphenyl)-3-isopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-4-piperidincarboxamid [German] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[[(5R,6S)-5,6-bis(4-chlorophenyl)-5,6-dihydro-3-(1-methylethyl)imidazo[2,1-b]thiazol-2-yl]carbonyl]-N,N-dimethyl- [ACD/Index 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: 718.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.3±35.7 °C
Index of Refraction: 1.672
Molar Refractivity: 156.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2644.12
ACD/KOC (pH 5.5): 9790.04
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2654.30
ACD/KOC (pH 7.4): 9827.72
Polar Surface Area: 82 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 417.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement