ChemSpider 2D Image | N-[(2R)-2-{(1,3-Benzodioxol-5-ylmethyl)[(4-methoxy-2,6-dimethylphenyl)sulfonyl]amino}-3-(hydroxyamino)-3-oxopropyl]-4-methylbenzamide | C28H31N3O8S

N-[(2R)-2-{(1,3-Benzodioxol-5-ylmethyl)[(4-methoxy-2,6-dimethylphenyl)sulfonyl]amino}-3-(hydroxyamino)-3-oxopropyl]-4-methylbenzamide

  • Molecular FormulaC28H31N3O8S
  • Average mass569.626 Da
  • Monoisotopic mass569.183167 Da
  • ChemSpider ID8296184

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(2R)-2-[(1,3-benzodioxol-5-ylmethyl)[(4-methoxy-2,6-dimethylphenyl)sulfonyl]amino]-3-(hydroxyamino)-3-oxopropyl]-4-methyl- [ACD/Index Name]
N-[(2R)-2-{(1,3-Benzodioxol-5-ylmethyl)[(4-methoxy-2,6-dimethylphenyl)sulfonyl]amino}-3-(hydroxyamino)-3-oxopropyl]-4-methylbenzamid [German] [ACD/IUPAC Name]
N-[(2R)-2-{(1,3-Benzodioxol-5-ylmethyl)[(4-methoxy-2,6-dimethylphenyl)sulfonyl]amino}-3-(hydroxyamino)-3-oxopropyl]-4-methylbenzamide [ACD/IUPAC Name]
N-[(2R)-2-{(1,3-Benzodioxol-5-ylméthyl)[(4-méthoxy-2,6-diméthylphényl)sulfonyl]amino}-3-(hydroxyamino)-3-oxopropyl]-4-méthylbenzamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 147.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 358.19
ACD/KOC (pH 5.5): 2342.97
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.44
ACD/KOC (pH 7.4): 2239.98
Polar Surface Area: 152 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 421.2±3.0 cm3

Click to predict properties on the Chemicalize site


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