ChemSpider 2D Image | 3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-methylbenzamide) | C37H40N4O5

3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-methylbenzamide)

  • Molecular FormulaC37H40N4O5
  • Average mass620.737 Da
  • Monoisotopic mass620.299866 Da
  • ChemSpider ID408227

  • 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-methylbenzamid) [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-methylbenzamide) [ACD/IUPAC Name]
3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-methylbenzamide)
3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazépane-1,3-diyl]diméthylène}bis(N-méthylbenzamide) [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-methyl- [ACD/Index Name]
(4aα,5α,6β,7β)-3,3'-(Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)bis(N-methylbenzamide)
(4aα,5α,6β,7β)-3,3'-[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)bis[N-methylbenzamide]
152928-55-7 [RN]
1N-methyl-3-[4,7-dibenzyl-5,6-dihydroxy-3-(3-methylcarbamoylbenzyl)-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]benzamide
3-(4,7-Dibenzyl-5,6-dihydroxy-2-oxo-[1,3]diazepan-1-ylmethyl)-bis-(N-methyl-benzamide)
More...

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

AIDS042905 [DBID]
AIDS-042905 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 855.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 471.2±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 177.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 460.50
ACD/KOC (pH 5.5): 2805.06
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 460.50
ACD/KOC (pH 7.4): 2805.06
Polar Surface Area: 122 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 490.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement