ChemSpider 2D Image | N-{4-[(1,4-Dioxo-1,2,3,4-tetrahydro-6-phthalazinyl)(ethyl)amino]butyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C24H34N6O4S

N-{4-[(1,4-Dioxo-1,2,3,4-tetrahydro-6-phthalazinyl)(ethyl)amino]butyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

  • Molecular FormulaC24H34N6O4S
  • Average mass502.630 Da
  • Monoisotopic mass502.236237 Da
  • ChemSpider ID113835

  • 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-pentanamide, N-[4-[ethyl(1,2,3,4-tetrahydro-1,4-dioxo-6-phthalazinyl)amino]butyl]hexahydro-2-oxo-, (3aS,4S,6aR)- [ACD/Index Name]
N-{4-[(1,4-Dioxo-1,2,3,4-tétrahydro-6-phtalazinyl)(éthyl)amino]butyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanamide [French] [ACD/IUPAC Name]
N-{4-[(1,4-Dioxo-1,2,3,4-tetrahydro-6-phthalazinyl)(ethyl)amino]butyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
N-{4-[(1,4-Dioxo-1,2,3,4-tetrahydro-6-phthalazinyl)(ethyl)amino]butyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
103612-64-2 [RN]
5-[(3AS,4S,6AR)-2-OXO-HEXAHYDROTHIENO[3,4-D]IMIDAZOLIDIN-4-YL]-N-{4-[(1,4-DIOXO-2,3-DIHYDROPHTHALAZIN-6-YL)(ETHYL)AMINO]BUTYL}PENTANAMIDE
Abei-biotin
Aminobutylethylisoluminol-biotin

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.586
Molar Refractivity: 134.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.90
ACD/KOC (pH 5.5): 191.57
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 11.04
ACD/KOC (pH 7.4): 193.99
Polar Surface Area: 157 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 400.8±3.0 cm3

Click to predict properties on the Chemicalize site


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