ChemSpider 2D Image | N-[(1s,2r)-3-{(1,3-Benzothiazol-6-Ylsulfonyl)[(2s)-2-Methylbutyl]amino}-1-Benzyl-2-Hydroxypropyl]-3-Hydroxybenzamide | C29H33N3O5S2

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

  • Molecular FormulaC29H33N3O5S2
  • Average mass567.719 Da
  • Monoisotopic mass567.186157 Da
  • ChemSpider ID25058644
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Benzamide, N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)[(2S)-2-methylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-hydroxy- [ACD/Index Name]
N-[(1s,2r)-3-{(1,3-Benzothiazol-6-Ylsulfonyl)[(2s)-2-Methylbutyl]amino}-1-Benzyl-2-Hydroxypropyl]-3-Hydroxybenzamide
N-[(2S,3R)-4-{(1,3-Benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-hydroxybenzamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-4-{(1,3-Benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-hydroxybenzamide [ACD/IUPAC Name]
N-[(2S,3R)-4-{(1,3-Benzothiazol-6-ylsulfonyl)[(2S)-2-méthylbutyl]amino}-3-hydroxy-1-phényl-2-butanyl]-3-hydroxybenzamide [French] [ACD/IUPAC Name]
MIT-2-AD-93 (AD-93)
MZ6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1882.72
ACD/KOC (pH 5.5): 7685.42
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1857.25
ACD/KOC (pH 7.4): 7581.45
Polar Surface Area: 156 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 429.8±3.0 cm3

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