ChemSpider 2D Image | N~2~-({[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl}acetyl)-N-cyclohexyl-N~2~-(4-methylphenyl)alaninamide | C27H33N3O6S

N2-({[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl}acetyl)-N-cyclohexyl-N2-(4-methylphenyl)alaninamide

  • Molecular FormulaC27H33N3O6S
  • Average mass527.632 Da
  • Monoisotopic mass527.208984 Da
  • ChemSpider ID2433491

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-cyclohexyl-N2-(4-methylphenyl)alaninamid [German] [ACD/IUPAC Name]
N2-({[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl}acetyl)-N-cyclohexyl-N2-(4-methylphenyl)alaninamide [ACD/IUPAC Name]
N2-(2-{[2-(1,3-Benzodioxol-5-ylamino)-2-oxoéthyl]sulfinyl}acétyl)-N-cyclohexyl-N2-(4-méthylphényl)alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl]acetyl](4-methylphenyl)amino]-N-cyclohexyl- [ACD/Index Name]

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

ASN 04138952 [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: 834.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 458.5±34.3 °C
Index of Refraction: 1.640
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: 3.24
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.63
ACD/KOC (pH 5.5): 467.08
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.63
ACD/KOC (pH 7.4): 467.05
Polar Surface Area: 133 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 390.5±5.0 cm3

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