ChemSpider 2D Image | N-{(2S)-1-[(3-{2-[(Cyclopropylmethyl)amino]-2-oxoethyl}-4-oxo-2-phenyl-3,4-dihydro-6-quinazolinyl)oxy]-4-methyl-2-pentanyl}-L-tyrosinamide | C35H41N5O5

N-{(2S)-1-[(3-{2-[(Cyclopropylmethyl)amino]-2-oxoethyl}-4-oxo-2-phenyl-3,4-dihydro-6-quinazolinyl)oxy]-4-methyl-2-pentanyl}-L-tyrosinamide

  • Molecular FormulaC35H41N5O5
  • Average mass611.731 Da
  • Monoisotopic mass611.310791 Da
  • ChemSpider ID25051654
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3(4H)-Quinazolineacetamide, 6-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methylpentyl]oxy]-N-(cyclopropylmethyl)-4-oxo-2-phenyl- [ACD/Index Name]
N-{(2S)-1-[(3-{2-[(Cyclopropylmethyl)amino]-2-oxoethyl}-4-oxo-2-phenyl-3,4-dihydro-6-chinazolinyl)oxy]-4-methyl-2-pentanyl}-L-tyrosinamid [German] [ACD/IUPAC Name]
N-{(2S)-1-[(3-{2-[(Cyclopropylmethyl)amino]-2-oxoethyl}-4-oxo-2-phenyl-3,4-dihydro-6-quinazolinyl)oxy]-4-methyl-2-pentanyl}-L-tyrosinamide [ACD/IUPAC Name]
N-{(2S)-1-[(3-{2-[(Cyclopropylméthyl)amino]-2-oxoéthyl}-4-oxo-2-phényl-3,4-dihydro-6-quinazolinyl)oxy]-4-méthyl-2-pentanyl}-L-tyrosinamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 170.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 2.32
ACD/KOC (pH 5.5): 22.11
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 62.35
ACD/KOC (pH 7.4): 594.51
Polar Surface Area: 146 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 467.8±7.0 cm3

Click to predict properties on the Chemicalize site






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