ChemSpider 2D Image | 2-(2-Oxo-1-imidazolidinyl)ethyl {(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate | C28H37N5O6S2

2-(2-Oxo-1-imidazolidinyl)ethyl {(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate

  • Molecular FormulaC28H37N5O6S2
  • Average mass603.753 Da
  • Monoisotopic mass603.218506 Da
  • ChemSpider ID28639585

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phényl-2-butanyl}carbamate de 2-(2-oxo-1-imidazolidinyl)éthyle [French] [ACD/IUPAC Name]
2-(2-Oxo-1-imidazolidinyl)ethyl {(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
2-(2-Oxo-1-imidazolidinyl)ethyl-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)pentylamino]-2-hydroxy-1-(phenylmethyl)propyl]-, 2-(2-oxo-1-imidazolidinyl)ethyl ester [ACD/Index Name]

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: 1.617
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1705.73
ACD/KOC (pH 5.5): 7161.42
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1705.60
ACD/KOC (pH 7.4): 7160.85
Polar Surface Area: 178 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 456.4±3.0 cm3

Click to predict properties on the Chemicalize site


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