ChemSpider 2D Image | Ethyl {1-[(3R)-3-({2-fluoro-4-[(Z)-imino(1,3-thiazolidin-3-yl)methyl]benzoyl}amino)-2,2-dimethylpentanoyl]-4-piperidinyl}acetate | C27H39FN4O4S

Ethyl {1-[(3R)-3-({2-fluoro-4-[(Z)-imino(1,3-thiazolidin-3-yl)methyl]benzoyl}amino)-2,2-dimethylpentanoyl]-4-piperidinyl}acetate

  • Molecular FormulaC27H39FN4O4S
  • Average mass534.686 Da
  • Monoisotopic mass534.267578 Da
  • ChemSpider ID8729714
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

{1-[(3R)-3-({2-Fluoro-4-[(Z)-imino(1,3-thiazolidin-3-yl)méthyl]benzoyl}amino)-2,2-diméthylpentanoyl]-4-pipéridinyl}acétate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidineacetic acid, 1-[(3R)-3-[[2-fluoro-4-[(Z)-imino-3-thiazolidinylmethyl]benzoyl]amino]-2,2-dimethyl-1-oxopentyl]-, ethyl ester [ACD/Index Name]
Ethyl {1-[(3R)-3-({2-fluoro-4-[(Z)-imino(1,3-thiazolidin-3-yl)methyl]benzoyl}amino)-2,2-dimethylpentanoyl]-4-piperidinyl}acetate [ACD/IUPAC Name]
Ethyl-{1-[(3R)-3-({2-fluor-4-[(Z)-imino(1,3-thiazolidin-3-yl)methyl]benzoyl}amino)-2,2-dimethylpentanoyl]-4-piperidinyl}acetat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 11.63
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 18.48
ACD/KOC (pH 7.4): 176.41
Polar Surface Area: 128 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 421.8±7.0 cm3

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