ChemSpider 2D Image | N-{(2R)-1-{[(2S)-1-(1,3-Benzoxazol-2-yl)-1-oxo-2-hexanyl]amino}-3-[(2-chlorobenzyl)sulfonyl]-1-oxo-2-propanyl}-4-morpholinecarboxamide | C28H33ClN4O7S

N-{(2R)-1-{[(2S)-1-(1,3-Benzoxazol-2-yl)-1-oxo-2-hexanyl]amino}-3-[(2-chlorobenzyl)sulfonyl]-1-oxo-2-propanyl}-4-morpholinecarboxamide

  • Molecular FormulaC28H33ClN4O7S
  • Average mass605.102 Da
  • Monoisotopic mass604.175842 Da
  • ChemSpider ID24836984

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Morpholinecarboxamide, N-[(1R)-2-[[(1S)-1-(2-benzoxazolylcarbonyl)pentyl]amino]-1-[[[(2-chlorophenyl)methyl]sulfonyl]methyl]-2-oxoethyl]- [ACD/Index Name]
N-{(2R)-1-{[(2S)-1-(1,3-Benzoxazol-2-yl)-1-oxo-2-hexanyl]amino}-3-[(2-chlorbenzyl)sulfonyl]-1-oxo-2-propanyl}-4-morpholincarboxamid [German] [ACD/IUPAC Name]
N-{(2R)-1-{[(2S)-1-(1,3-Benzoxazol-2-yl)-1-oxo-2-hexanyl]amino}-3-[(2-chlorobenzyl)sulfonyl]-1-oxo-2-propanyl}-4-morpholinecarboxamide [ACD/IUPAC Name]
N-{(2R)-1-{[(2S)-1-(1,3-Benzoxazol-2-yl)-1-oxo-2-hexanyl]amino}-3-[(2-chlorobenzyl)sulfonyl]-1-oxo-2-propanyl}-4-morpholinecarboxamide [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: 1.603
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 107.87
ACD/KOC (pH 5.5): 992.58
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.68
ACD/KOC (pH 7.4): 990.85
Polar Surface Area: 156 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 447.1±3.0 cm3

Click to predict properties on the Chemicalize site


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