ChemSpider 2D Image | (3S)-N-[(2S,3R)-3-Hydroxy-4-{(3-methylbutyl)[(2-methyl-2-propanyl)carbamoyl]amino}-1-phenyl-2-butanyl]tetrahydro-2H-thiopyran-3-carboxamide 1,1-dioxide | C26H43N3O5S

(3S)-N-[(2S,3R)-3-Hydroxy-4-{(3-methylbutyl)[(2-methyl-2-propanyl)carbamoyl]amino}-1-phenyl-2-butanyl]tetrahydro-2H-thiopyran-3-carboxamide 1,1-dioxide

  • Molecular FormulaC26H43N3O5S
  • Average mass509.702 Da
  • Monoisotopic mass509.292328 Da
  • ChemSpider ID410559

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S) 1,1-Dioxyde de N-[(2S,3R)-3-hydroxy-4-{(3-méthylbutyl)[(2-méthyl-2-propanyl)carbamoyl]amino}-1-phényl-2-butanyl]tétrahydro-2H-thiopyrane-3-carboxamide [French] [ACD/IUPAC Name]
(3S)-N-[(2S,3R)-3-Hydroxy-4-{(3-methylbutyl)[(2-methyl-2-propanyl)carbamoyl]amino}-1-phenyl-2-butanyl]tetrahydro-2H-thiopyran-3-carboxamid-1,1-dioxid [German] [ACD/IUPAC Name]
(3S)-N-[(2S,3R)-3-Hydroxy-4-{(3-methylbutyl)[(2-methyl-2-propanyl)carbamoyl]amino}-1-phenyl-2-butanyl]tetrahydro-2H-thiopyran-3-carboxamide 1,1-dioxide [ACD/IUPAC Name]
2H-Thiopyran-3-carboxamide, N-[(1S,2R)-3-[[[(1,1-dimethylethyl)amino]carbonyl](3-methylbutyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]tetrahydro-, 1,1-dioxide, (3S)- [ACD/Index Name]
2H-Thiopyran-3-carboxamide, N-[3-[[[(1,1-dimethylethylamino]-carbonyl](3-methylbutyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]tetrahydro, 1,1-dioxide

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

AIDS051379 [DBID]
AIDS-051379 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 796.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 435.3±32.9 °C
Index of Refraction: 1.544
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 132.23
ACD/KOC (pH 5.5): 1148.31
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 132.23
ACD/KOC (pH 7.4): 1148.31
Polar Surface Area: 124 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 440.3±3.0 cm3

Click to predict properties on the Chemicalize site


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