ChemSpider 2D Image | BB-Cl-Yne | C28H26ClN5O

BB-Cl-Yne

  • Molecular FormulaC28H26ClN5O
  • Average mass483.992 Da
  • Monoisotopic mass483.182587 Da
  • ChemSpider ID73962321

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,1'-Biphenyl]-4-carboxamide, N-[(1S)-1-(1H-benzimidazol-2-yl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-4'-ethynyl- [ACD/Index Name]
2219324-71-5 [RN]
BB-Cl-Yne
N-{(1S)-1-(1H-Benzimidazol-2-yl)-4-[(2-chlorethanimidoyl)amino]butyl}-4'-ethinyl-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-{(1S)-1-(1H-Benzimidazol-2-yl)-4-[(2-chloroethanimidoyl)amino]butyl}-4'-ethynyl-4-biphenylcarboxamide [ACD/IUPAC Name]
N-{(1S)-1-(1H-Benzimidazol-2-yl)-4-[(2-chloroethanimidoyl)amino]butyl}-4'-éthynyl-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
N-[(1S)-1-(1H-benzimidazol-2-yl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-4'-ethynyl-[1,1'-biphenyl]-4-carboxamide
N-[(1S)-4-[(1-amino-2-chloroethylidene)amino]-1-(1H-benzimidazol-2-yl)butyl]-4-(4-ethynylphenyl)benzamide

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 2.92
ACD/KOC (pH 5.5): 17.98
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 37.31
Polar Surface Area: 94 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 390.1±7.0 cm3

Click to predict properties on the Chemicalize site


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