ChemSpider 2D Image | 1-({4-Methyl-5-[2-(1,1,1-trifluoro-2-methyl-2-propanyl)-4-pyridinyl]-1,3-thiazol-2-yl}carbamoyl)-L-proline | C19H21F3N4O3S

1-({4-Methyl-5-[2-(1,1,1-trifluoro-2-methyl-2-propanyl)-4-pyridinyl]-1,3-thiazol-2-yl}carbamoyl)-L-proline

  • Molecular FormulaC19H21F3N4O3S
  • Average mass442.455 Da
  • Monoisotopic mass442.128632 Da
  • ChemSpider ID64854178

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-({4-Methyl-5-[2-(1,1,1-trifluor-2-methyl-2-propanyl)-4-pyridinyl]-1,3-thiazol-2-yl}carbamoyl)-L-prolin [German] [ACD/IUPAC Name]
1-({4-Methyl-5-[2-(1,1,1-trifluoro-2-methyl-2-propanyl)-4-pyridinyl]-1,3-thiazol-2-yl}carbamoyl)-L-proline [ACD/IUPAC Name]
1-({4-Méthyl-5-[2-(1,1,1-trifluoro-2-méthyl-2-propanyl)-4-pyridinyl]-1,3-thiazol-2-yl}carbamoyl)-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[[[4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]amino]carbonyl]- [ACD/Index Name]

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

783V5Z8EJM [DBID]

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: 1.588
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.52
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 311.2±3.0 cm3

Click to predict properties on the Chemicalize site


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