ChemSpider 2D Image | N-{5-[(1H-Benzimidazol-2-ylmethyl)amino]-3-hydroxy-5-oxo-1-phenyl-2-pentanyl}-2-{2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | C42H47N7O5S

N-{5-[(1H-Benzimidazol-2-ylmethyl)amino]-3-hydroxy-5-oxo-1-phenyl-2-pentanyl}-2-{2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC42H47N7O5S
  • Average mass761.932 Da
  • Monoisotopic mass761.335938 Da
  • ChemSpider ID3387

More details:

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

N-{5-[(1H-Benzimidazol-2-ylméthyl)amino]-3-hydroxy-5-oxo-1-phényl-2-pentanyl}-2-{2-(benzylamino)-2-oxo-1-[(2-phénylacétyl)amino]éthyl}-5,5-diméthyl-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
N-{5-[(1H-Benzimidazol-2-ylmethyl)amino]-3-hydroxy-5-oxo-1-phenyl-2-pentanyl}-2-{2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
N-{5-[(1H-Benzimidazol-2-ylmethyl)amino]-3-hydroxy-5-oxo-1-phenyl-2-pentanyl}-2-{2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1161.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 179.7±3.0 kJ/mol
Flash Point: 656.1±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 214.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 127.83
ACD/KOC (pH 5.5): 768.38
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 469.29
ACD/KOC (pH 7.4): 2820.86
Polar Surface Area: 203 Å2
Polarizability: 85.0±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 594.9±3.0 cm3

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