ChemSpider 2D Image | 5-[(3as,4S,6ar)-2-oxo-hexahydro-1H-thieno[3,4- D]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide | C36H44N6O8S3

5-[(3as,4S,6ar)-2-oxo-hexahydro-1H-thieno[3,4- D]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide

  • Molecular FormulaC36H44N6O8S3
  • Average mass784.965 Da
  • Monoisotopic mass784.238281 Da
  • ChemSpider ID35034012

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 2-[4,4''-bis(4-morpholinylsulfonyl)[1,1':3',1''-terphenyl]-2'-yl]hydrazide, (3aS,4S,6aR)- [ACD/Index Name]
5-[(3as,4S,6ar)-2-oxo-hexahydro-1H-thieno[3,4- D]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide
N'-[4,4''-Bis(4-morpholinylsulfonyl)-1,1':3',1''-terphenyl-2'-yl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanehydrazide [ACD/IUPAC Name]
N'-[4,4''-Bis(4-morpholinylsulfonyl)-1,1':3',1''-terphényl-2'-yl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanehydrazide [French] [ACD/IUPAC Name]
N'-[4,4''-Bis(4-morpholinylsulfonyl)-1,1':3',1''-terphenyl-2'-yl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanhydrazid [German] [ACD/IUPAC Name]
5-[(3as,4s,6ar)-2-Oxo-Hexahydro-1h-Thieno[3,4- D]imidazolidin-4-Yl]-N'-{2,6-Bis[4-(Morpholine-4- Sulfonyl)phenyl]phenyl} Pentanehydrazide
LH4

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: 1.629
Molar Refractivity: 203.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 103.87
ACD/KOC (pH 5.5): 965.49
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 103.87
ACD/KOC (pH 7.4): 965.49
Polar Surface Area: 218 Å2
Polarizability: 80.5±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 571.2±3.0 cm3

Click to predict properties on the Chemicalize site


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