ChemSpider 2D Image | N~2~-(1,3-Benzodioxol-5-ylmethyl)-N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~5~-(propylcarbamoyl)-D-ornithinamide | C24H32N4O8S

N2-(1,3-Benzodioxol-5-ylmethyl)-N-hydroxy-N2-[(4-methoxyphenyl)sulfonyl]-N5-(propylcarbamoyl)-D-ornithinamide

  • Molecular FormulaC24H32N4O8S
  • Average mass536.598 Da
  • Monoisotopic mass536.194092 Da
  • ChemSpider ID23157290

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N2-(1,3-Benzodioxol-5-ylmethyl)-N-hydroxy-N2-[(4-methoxyphenyl)sulfonyl]-N5-(propylcarbamoyl)-D-ornithinamid [German] [ACD/IUPAC Name]
N2-(1,3-Benzodioxol-5-ylmethyl)-N-hydroxy-N2-[(4-methoxyphenyl)sulfonyl]-N5-(propylcarbamoyl)-D-ornithinamide [ACD/IUPAC Name]
N2-(1,3-Benzodioxol-5-ylméthyl)-N-hydroxy-N2-[(4-méthoxyphényl)sulfonyl]-N5-(propylcarbamoyl)-D-ornithinamide [French] [ACD/IUPAC Name]
Pentanamide, 2-[(1,3-benzodioxol-5-ylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-N-hydroxy-5-[[(propylamino)carbonyl]amino]-, (2R)- [ACD/Index Name]
(R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-5-(3-propyl-ureido)-pentanoic acid hydroxyamide
CHEMBL305227
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL305227/

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.86
ACD/KOC (pH 5.5): 347.08
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.30
ACD/KOC (pH 7.4): 339.30
Polar Surface Area: 164 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 401.5±3.0 cm3

Click to predict properties on the Chemicalize site


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