ChemSpider 2D Image | 1,3-Thiazol-5-ylmethyl [(2R,5S)-5-{[(2R)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate | C40H53N7O5S2

1,3-Thiazol-5-ylmethyl [(2R,5S)-5-{[(2R)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate

  • Molecular FormulaC40H53N7O5S2
  • Average mass776.023 Da
  • Monoisotopic mass775.354980 Da
  • ChemSpider ID107447361

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2R,5S)-5-{[(2R)-2-({[(2-Isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphényl-2-hexanyl]carbamate de 1,3-thiazol-5-ylméthyle [French] [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl [(2R,5S)-5-{[(2R)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl-[(2R,5S)-5-{[(2R)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(4-morpholinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,4S)-4-[[(2R)-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-4-(4-morpholinyl)-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl este r [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 974.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.2±3.0 kJ/mol
Flash Point: 543.2±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 214.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 57.16
ACD/KOC (pH 5.5): 213.43
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1634.39
ACD/KOC (pH 7.4): 6102.60
Polar Surface Area: 195 Å2
Polarizability: 85.0±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 631.6±3.0 cm3

Click to predict properties on the Chemicalize site


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