ChemSpider 2D Image | (4R)-1-(3,3-Dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide | C21H27N3O3S

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

  • Molecular FormulaC21H27N3O3S
  • Average mass401.522 Da
  • Monoisotopic mass401.177307 Da
  • ChemSpider ID35035189

  • 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-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-(3,3-Dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-1-(3,3-Diméthylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-(3,3-dimethyl-1-oxobutyl)-4-hydroxy-N-[[4-(5-thiazolyl)phenyl]methyl]-, (2S,4R)- [ACD/Index Name]
3JT
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3344078/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 368.7±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.00
ACD/KOC (pH 5.5): 387.52
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.01
ACD/KOC (pH 7.4): 387.76
Polar Surface Area: 111 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 322.8±3.0 cm3

Click to predict properties on the Chemicalize site


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