ChemSpider 2D Image | 2-(4-Amino-2,6-dimethylphenoxy)-N-[(2S,3R)-3-hydroxy-4-(isobutyl{[2-(methylamino)-1,3-benzothiazol-6-yl]sulfonyl}amino)-1-phenyl-2-butanyl]acetamide | C32H41N5O5S2

2-(4-Amino-2,6-dimethylphenoxy)-N-[(2S,3R)-3-hydroxy-4-(isobutyl{[2-(methylamino)-1,3-benzothiazol-6-yl]sulfonyl}amino)-1-phenyl-2-butanyl]acetamide

  • Molecular FormulaC32H41N5O5S2
  • Average mass639.828 Da
  • Monoisotopic mass639.254883 Da
  • ChemSpider ID4440429

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(4-Amino-2,6-dimethylphenoxy)-N-[(2S,3R)-3-hydroxy-4-(isobutyl{[2-(methylamino)-1,3-benzothiazol-6-yl]sulfonyl}amino)-1-phenyl-2-butanyl]acetamid [German] [ACD/IUPAC Name]
2-(4-Amino-2,6-dimethylphenoxy)-N-[(2S,3R)-3-hydroxy-4-(isobutyl{[2-(methylamino)-1,3-benzothiazol-6-yl]sulfonyl}amino)-1-phenyl-2-butanyl]acetamide [ACD/IUPAC Name]
2-(4-Amino-2,6-diméthylphénoxy)-N-[(2S,3R)-3-hydroxy-4-(isobutyl{[2-(méthylamino)-1,3-benzothiazol-6-yl]sulfonyl}amino)-1-phényl-2-butanyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-(4-amino-2,6-dimethylphenoxy)-N-[(1S,2R)-2-hydroxy-3-[[[2-(methylamino)-6-benzothiazolyl]sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]- [ACD/Index Name]
Acetamide, N-[(1S,2R)-3-[[(2-methylamino-6-benzothiazolyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-(4-amino-2,6-dimethylphenoxy)-

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

AIDS231470 [DBID]
AIDS-231470 [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: 1.638
Molar Refractivity: 176.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2002.62
ACD/KOC (pH 5.5): 7283.12
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2812.64
ACD/KOC (pH 7.4): 10229.00
Polar Surface Area: 184 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 491.8±3.0 cm3

Click to predict properties on the Chemicalize site


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