ChemSpider 2D Image | N-[(4R,5R)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N~2~-{[(2-isopropyl-1,3-thiazol-4-yl)methyl]carbamoyl}valinamide | C36H46N6O5S2

N-[(4R,5R)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl]carbamoyl}valinamide

  • Molecular FormulaC36H46N6O5S2
  • Average mass706.918 Da
  • Monoisotopic mass706.297119 Da
  • ChemSpider ID74857859

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Carbamic acid, N-[(1R,2R)-2-hydroxy-4-[[3-methyl-2-[[[[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester [ACD/Index Name]
N-[(4R,5R)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl]carbamoyl}valinamid [German] [ACD/IUPAC Name]
N-[(4R,5R)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl]carbamoyl}valinamide [ACD/IUPAC Name]
N-[(4R,5R)-4-Hydroxy-1,6-diphényl-5-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)méthyl]carbamoyl}valinamide [French] [ACD/IUPAC Name]
N-Desmethylritonavir

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 945.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.2±3.0 kJ/mol
Flash Point: 525.8±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 194.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2184.80
ACD/KOC (pH 5.5): 8541.79
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2186.71
ACD/KOC (pH 7.4): 8549.28
Polar Surface Area: 211 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 566.8±3.0 cm3

Click to predict properties on the Chemicalize site


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