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ChemSpider 2D Image | N~2~-({[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl}acetyl)-N-cyclopentyl-N~2~-(2,5-dimethylphenyl)alaninamide | C27H33N3O6S

N2-({[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl}acetyl)-N-cyclopentyl-N2-(2,5-dimethylphenyl)alaninamide

  • Molecular FormulaC27H33N3O6S
  • Average mass527.632 Da
  • Monoisotopic mass527.208984 Da
  • ChemSpider ID2433344

More details:






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

N2-({[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl}acetyl)-N-cyclopentyl-N2-(2,5-dimethylphenyl)alaninamid [German] [ACD/IUPAC Name]
N2-({[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl}acetyl)-N-cyclopentyl-N2-(2,5-dimethylphenyl)alaninamide [ACD/IUPAC Name]
N2-(2-{[2-(1,3-Benzodioxol-5-ylamino)-2-oxoéthyl]sulfinyl}acétyl)-N-cyclopentyl-N2-(2,5-diméthylphényl)alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl]acetyl](2,5-dimethylphenyl)amino]-N-cyclopentyl- [ACD/Index Name]

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

ASN 04122751 [DBID]
MLS000121823 [DBID]
SMR000119236 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 841.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 462.9±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.41
ACD/KOC (pH 5.5): 542.73
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.41
ACD/KOC (pH 7.4): 542.70
Polar Surface Area: 133 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 390.0±5.0 cm3

Click to predict properties on the Chemicalize site






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