ChemSpider 2D Image | N-{(2R)-6-Amino-1-oxo-1-[4-(4-pyridinyl)-1-piperazinyl]-2-hexanyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl}-D-tyrosinamide | C38H47Br2N9O5

N-{(2R)-6-Amino-1-oxo-1-[4-(4-pyridinyl)-1-piperazinyl]-2-hexanyl}-3,5-dibromo-Nα-{[4-(2-oxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl}-D-tyrosinamide

  • Molecular FormulaC38H47Br2N9O5
  • Average mass869.645 Da
  • Monoisotopic mass867.206665 Da
  • ChemSpider ID109493215

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidinecarboxamide, N-[(1R)-2-[[(1R)-5-amino-1-[[4-(4-pyridinyl)-1-piperazinyl]carbonyl]pentyl]amino]-1-[(3,5-dibromo-4-hydroxyphenyl)methyl]-2-oxoethyl]-4-(1,4-dihydro-2-oxo-3(2H)-quinazolinyl)- [ACD/Index Name]
N-{(2R)-6-Amino-1-oxo-1-[4-(4-pyridinyl)-1-piperazinyl]-2-hexanyl}-3,5-dibrom-Nα-{[4-(2-oxo-1,4-dihydro-3(2H)-chinazolinyl)-1-piperidinyl]carbonyl}-D-tyrosinamid [German] [ACD/IUPAC Name]
N-{(2R)-6-Amino-1-oxo-1-[4-(4-pyridinyl)-1-piperazinyl]-2-hexanyl}-3,5-dibromo-Nα-{[4-(2-oxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl}-D-tyrosinamide [ACD/IUPAC Name]
N-{(2R)-6-Amino-1-oxo-1-[4-(4-pyridinyl)-1-pipérazinyl]-2-hexanyl}-3,5-dibromo-Nα-{[4-(2-oxo-1,4-dihydro-3(2H)-quinazolinyl)-1-pipéridinyl]carbonyl}-D-tyrosinamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1091.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.9±3.0 kJ/mol
Flash Point: 614.1±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 210.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.55
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 83.3±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 580.7±3.0 cm3

Click to predict properties on the Chemicalize site


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