ChemSpider 2D Image | (2s)-N-[(1s,2r)-3-{(1,3-Benzothiazol-6-Ylsulfonyl)[(2s)-2-Methylbutyl]amino}-1-Benzyl-2-Hydroxypropyl]-2-Hydroxy-3-Methylbutanamide | C27H37N3O5S2

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

  • Molecular FormulaC27H37N3O5S2
  • Average mass547.730 Da
  • Monoisotopic mass547.217468 Da
  • ChemSpider ID25058643

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2s)-N-[(1s,2r)-3-{(1,3-Benzothiazol-6-Ylsulfonyl)[(2s)-2-Methylbutyl]amino}-1-Benzyl-2-Hydroxypropyl]-2-Hydroxy-3-Methylbutanamide
(2S)-N-[(2S,3R)-4-{(1,3-Benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-2-hydroxy-3-methylbutanamid [German] [ACD/IUPAC Name]
(2S)-N-[(2S,3R)-4-{(1,3-Benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-2-hydroxy-3-methylbutanamide [ACD/IUPAC Name]
(2S)-N-[(2S,3R)-4-{(1,3-Benzothiazol-6-ylsulfonyl)[(2S)-2-méthylbutyl]amino}-3-hydroxy-1-phényl-2-butanyl]-2-hydroxy-3-méthylbutanamide [French] [ACD/IUPAC Name]
Butanamide, N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)[(2S)-2-methylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-hydroxy-3-methyl-, (2S)- [ACD/Index Name]
MZ5

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: 1.605
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1433.61
ACD/KOC (pH 5.5): 6323.70
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1433.60
ACD/KOC (pH 7.4): 6323.68
Polar Surface Area: 156 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 433.4±3.0 cm3

Click to predict properties on the Chemicalize site


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