ChemSpider 2D Image | N,N'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]di-5,1-pentanediyl}dibenzamide | C43H52N4O5

N,N'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]di-5,1-pentanediyl}dibenzamide

  • Molecular FormulaC43H52N4O5
  • Average mass704.897 Da
  • Monoisotopic mass704.393799 Da
  • ChemSpider ID2278620
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Benzamide, N,N'-[[(4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]di-5,1-pentanediyl]bis- [ACD/Index Name]
N,N'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1,3-diyl]di-5,1-pentandiyl}dibenzamid [German] [ACD/IUPAC Name]
N,N'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]di-5,1-pentanediyl}dibenzamide [ACD/IUPAC Name]
N,N'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazépane-1,3-diyl]di-5,1-pentanediyl}dibenzamide [French] [ACD/IUPAC Name]
N,N'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dipentane-5,1-diyl}dibenzamide
167826-35-9 [RN]
4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-di(5-phenylcarboxamidopentyl)-(4R,5S,6S,7R)-1,3-diazepane
DMPC Cyclic Urea 73
N-(5-((5S,6S,4R,7R)-4,7-Bisbenzyl-5,6-dihydroxy-2-oxo-3-(5-(phenylcarbonylamino)pentyl)(1,3-diazaperhydroepinyl))pentyl)benzamidem
N-(5-{(5S,6S,4R,7R)-4,7-Bisbenzyl-5,6-dihydroxy-2-oxo-3-[5-(phenylcarbonylamino)pentyl](1,3-diazaperhydroepinyl)}pentyl)benzamidem

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

AIDS210457 [DBID]
AIDS-210457 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 935.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 519.7±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 204.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10445.09
ACD/KOC (pH 5.5): 26201.51
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10445.09
ACD/KOC (pH 7.4): 26201.51
Polar Surface Area: 122 Å2
Polarizability: 81.1±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 597.0±3.0 cm3

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