ChemSpider 2D Image | N-{(1s,2r)-3-[(1,3-Benzothiazol-6-Ylsulfonyl)(Isobutyl)amino]-1-Benzyl-2-Hydroxypropyl}-3-Hydroxybenzamide | C28H31N3O5S2

N-{(1s,2r)-3-[(1,3-Benzothiazol-6-Ylsulfonyl)(Isobutyl)amino]-1-Benzyl-2-Hydroxypropyl}-3-Hydroxybenzamide

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID10157068

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-hydroxy- [ACD/Index Name]
N-{(1s,2r)-3-[(1,3-Benzothiazol-6-Ylsulfonyl)(Isobutyl)amino]-1-Benzyl-2-Hydroxypropyl}-3-Hydroxybenzamide
N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-hydroxybenzamid [German] [ACD/IUPAC Name]
N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-hydroxybenzamide [ACD/IUPAC Name]
N-{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phényl-2-butanyl}-3-hydroxybenzamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457783/
MZ8

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: 1.650
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1303.82
ACD/KOC (pH 5.5): 5908.13
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1286.17
ACD/KOC (pH 7.4): 5828.17
Polar Surface Area: 156 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 413.3±3.0 cm3

Click to predict properties on the Chemicalize site


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