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Search term: IKDADGNGNUKYHI-SAPNQHFASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (N-{2-[2-(2-{[3-(2-Allylphenoxy)-2-hydroxypropyl]amino}ethoxy)ethoxy]ethyl}-6-[({4-[(E)-2-(5-{[5-(2-thienyl)-2H-pyrrol-2-ylidene-kappaN]methyl}-1H-pyrrol-2-yl-kappaN)vinyl]phenoxy}acetyl)amino]hexanam idato)(difluoro)boron | C47H56BF2N5O7S

(N-{2-[2-(2-{[3-(2-Allylphenoxy)-2-hydroxypropyl]amino}ethoxy)ethoxy]ethyl}-6-[({4-[(E)-2-(5-{[5-(2-thienyl)-2H-pyrrol-2-ylidene-κN]methyl}-1H-pyrrol-2-yl-κN)vinyl]phenoxy}acetyl)amino]hexanam idato)(difluoro)boron

  • Molecular FormulaC47H56BF2N5O7S
  • Average mass883.850 Da
  • Monoisotopic mass883.396179 Da
  • ChemSpider ID26614505

  • Double-bond stereo - Double-bond stereo

More details:

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

(N-{2-[2-(2-{[3-(2-Allylphenoxy)-2-hydroxypropyl]amino}ethoxy)ethoxy]ethyl}-6-[({4-[(E)-2-(5-{[5-(2-thienyl)-2H-pyrrol-2-ylidene-κN]methyl}-1H-pyrrol-2-yl-κN)vinyl]phenoxy}acetyl)amino]hexanam idato)(difluoro)boron [ACD/IUPAC Name]
(N-{2-[2-(2-{[3-(2-Allylphenoxy)-2-hydroxypropyl]amino}ethoxy)ethoxy]ethyl}-6-[({4-[(E)-2-(5-{[5-(2-thienyl)-2H-pyrrol-2-yliden-κN]methyl}-1H-pyrrol-2-yl-κN)vinyl]phenoxy}acetyl)amino]hexanami dato)(difluor)bor [German] [ACD/IUPAC Name]
(N-{2-[2-(2-{[3-(2-Allylphénoxy)-2-hydroxypropyl]amino}éthoxy)éthoxy]éthyl}-6-[(2-{4-[(E)-2-(5-{[5-(2-thiényl)-2H-pyrrol-2-ylidène-κN]méthyl}-1H-pyrrol-2-yl-κN)vinyl]phénoxy}acétyl)amino]hexan amidato)(difluoro)bore [French] [ACD/IUPAC Name]
Boron, difluoro[N-[2-[2-[2-[[2-hydroxy-3-[2-(2-propen-1-yl)phenoxy]propyl]amino]ethoxy]ethoxy]ethyl]-6-[[2-[4-[(E)-2-[5-[[5-(2-thienyl)-2H-pyrrol-2-ylidene-κN]methyl]-1H-pyrrol-2-yl-κN]ethenyl ]phenoxy]acetyl]amino]hexanamidato]- [ACD/Index Name]

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

Density:
Boiling Point:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 28
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 164 Å2
Polarizability:
Surface Tension:
Molar Volume:

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