ChemSpider 2D Image | Sceptrin | C22H24Br2N10O2

Sceptrin

  • Molecular FormulaC22H24Br2N10O2
  • Average mass620.300 Da
  • Monoisotopic mass618.045044 Da
  • ChemSpider ID138516

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Sceptrin [Wiki]
1H-pyrrole-2-carboxamide, N,N'-[[(1R,2R,3S,4S)-3,4-bis(2-amino-1H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)]bis[4-bromo-
1H-Pyrrole-2-carboxamide, N,N'-[[(1R,2R,3S,4S)-3,4-bis(2-amino-1H-imidazol-5-yl)-1,2-cyclobutanediyl]bis(methylene)]bis[4-bromo- [ACD/Index Name]
79638-16-7 [RN]
N,N'-{[(1R,2R,3S,4S)-3-(2-Amino-1H-imidazol-4-yl)-4-(2-amino-1H-imidazol-5-yl)-1,2-cyclobutandiyl]dimethylen}bis(4-brom-1H-pyrrol-2-carboxamid) [German] [ACD/IUPAC Name]
N,N'-{[(1R,2R,3S,4S)-3-(2-Amino-1H-imidazol-4-yl)-4-(2-amino-1H-imidazol-5-yl)-1,2-cyclobutanediyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide) [ACD/IUPAC Name]
N,N'-{[(1R,2R,3S,4S)-3-(2-Amino-1H-imidazol-4-yl)-4-(2-amino-1H-imidazol-5-yl)-1,2-cyclobutanediyl]diméthylène}bis(4-bromo-1H-pyrrole-2-carboxamide) [French] [ACD/IUPAC Name]
N,N'-{[(1R,2R,3S,4S)-3,4-bis(2-amino-1H-imidazol-4-yl)cyclobutane-1,2-diyl]dimethanediyl}bis(4-bromo-1H-pyrrole-2-carboxamide)
Sceptrine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL307456/

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.745
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 90.4±3.0 dyne/cm
Molar Volume: 347.6±3.0 cm3

Click to predict properties on the Chemicalize site


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