ChemSpider 2D Image | 3,3'-[(4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl)bis(methylene)]bis[N-(1,3-thiazol-2-yl)benzamide] | C41H38N6O5S2

3,3'-[(4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl)bis(methylene)]bis[N-(1,3-thiazol-2-yl)benzamide]

  • Molecular FormulaC41H38N6O5S2
  • Average mass758.908 Da
  • Monoisotopic mass758.234497 Da
  • ChemSpider ID3668791

More details:

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

3,3'-[(4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1,3-diyl)dimethylen]bis[N-(1,3-thiazol-2-yl)benzamid] [German] [ACD/IUPAC Name]
3,3'-[(4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl)bis(methylene)]bis[N-(1,3-thiazol-2-yl)benzamide] [ACD/IUPAC Name]
3,3'-[(4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazépane-1,3-diyl)diméthylène]bis[N-(1,3-thiazol-2-yl)benzamide] [French] [ACD/IUPAC Name]
Benzamide, 3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-2-thiazolyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.728
Molar Refractivity: 212.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 8.38
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10421.94
ACD/KOC (pH 5.5): 25902.69
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 2206.11
ACD/KOC (pH 7.4): 5483.06
Polar Surface Area: 204 Å2
Polarizability: 84.2±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 533.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement