ChemSpider 2D Image | 3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1H-benzimidazol-2-yl)benzamide] | C49H44N8O5

3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1H-benzimidazol-2-yl)benzamide]

  • Molecular FormulaC49H44N8O5
  • Average mass824.924 Da
  • Monoisotopic mass824.343445 Da
  • ChemSpider ID392533
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1,3-diyl]dimethylen}bis[N-(1H-benzimidazol-2-yl)benzamid] [German] [ACD/IUPAC Name]
3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1H-benzimidazol-2-yl)benzamide] [ACD/IUPAC Name]
3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazépane-1,3-diyl]diméthylène}bis[N-(1H-benzimidazol-2-yl)benzamide] [French] [ACD/IUPAC Name]
Benzamide, 3,3'-[[(4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-1H-benzimidazol-2-yl- [ACD/Index Name]
(4R-(4α,5α,6β,7β))-3,3'-((Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)-bis(methylene))bis(N-1H-benzimidazol-2-ylbenzamide)
[4R-(4α,5α,6β,7β)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]-bis(methylene)]bis[N-1H-benzimidazol-2-ylbenzamide]
183854-21-9 [RN]
sd146

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

146 [DBID]
AIDS043319 [DBID]
AIDS-043319 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.768
Molar Refractivity: 240.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 8.79
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 21980.19
ACD/KOC (pH 5.5): 40380.05
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 31043.01
ACD/KOC (pH 7.4): 57029.52
Polar Surface Area: 180 Å2
Polarizability: 95.2±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 579.1±3.0 cm3

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