ChemSpider 2D Image | tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-[[2-(2-pyridylmethylamino)-1,3-benzothiazol-6-yl]sulfonyl]amino]propyl]carbamate | C32H41N5O5S2

tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-[[2-(2-pyridylmethylamino)-1,3-benzothiazol-6-yl]sulfonyl]amino]propyl]carbamate

  • Molecular FormulaC32H41N5O5S2
  • Average mass639.828 Da
  • Monoisotopic mass639.254883 Da
  • ChemSpider ID444935

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Tert-butyl (1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl({2-[(2-pyridinylmethyl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]propylcarbamate

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

AIDS181433 [DBID]
AIDS-181433 [DBID]

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: 1.622
Molar Refractivity: 175.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11399.52
ACD/KOC (pH 5.5): 27276.65
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12320.06
ACD/KOC (pH 7.4): 29479.30
Polar Surface Area: 170 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 498.4±3.0 cm3

Click to predict properties on the Chemicalize site


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