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

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

  • Molecular FormulaC27H33N3O6S
  • Average mass527.632 Da
  • Monoisotopic mass527.208984 Da
  • ChemSpider ID62578511

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 846.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 465.8±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


Advertisement