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Search term: WDAOLHBVTYRJBA-SAPNQHFASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Difluoro(N-{2-[2-(2-{[2-hydroxy-3-(1-naphthyloxy)propyl]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] hexanamidato)boron | C48H54BF2N5O7S

Difluoro(N-{2-[2-(2-{[2-hydroxy-3-(1-naphthyloxy)propyl]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] hexanamidato)boron

  • Molecular FormulaC48H54BF2N5O7S
  • Average mass893.844 Da
  • Monoisotopic mass893.380493 Da
  • ChemSpider ID26611766

  • Double-bond stereo - Double-bond stereo

More details:

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

Boron, difluoro[N-[2-[2-[2-[[2-hydroxy-3-(1-naphthalenyloxy)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]phenox y]acetyl]amino]hexanamidato]- [ACD/Index Name]
Difluor(N-{2-[2-(2-{[2-hydroxy-3-(1-naphthyloxy)propyl]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]he xanamidato)bor [German] [ACD/IUPAC Name]
Difluoro(N-{2-[2-(2-{[2-hydroxy-3-(1-naphthyloxy)propyl]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] hexanamidato)boron [ACD/IUPAC Name]
Difluoro(N-{2-[2-(2-{[2-hydroxy-3-(1-naphtyloxy)propyl]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 ]hexanamidato)bore [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 26
#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:

Click to predict properties on the Chemicalize site


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