ChemSpider 2D Image | (4R)-1-(3,3-Dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide | C22H29N3O3S

(4R)-1-(3,3-Dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide

  • Molecular FormulaC22H29N3O3S
  • Average mass415.549 Da
  • Monoisotopic mass415.192963 Da
  • ChemSpider ID35035191

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-(3,3-Dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-(3,3-Dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-1-(3,3-Diméthylbutanoyl)-4-hydroxy-N-[3-méthyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-(3,3-dimethyl-1-oxobutyl)-4-hydroxy-N-[[3-methyl-4-(5-thiazolyl)phenyl]methyl]-, (2S,4R)- [ACD/Index Name]
3JV
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3344080/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.6±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.49
ACD/KOC (pH 5.5): 500.73
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.52
ACD/KOC (pH 7.4): 501.18
Polar Surface Area: 111 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 339.1±3.0 cm3

Click to predict properties on the Chemicalize site


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