ChemSpider 2D Image | lisavanbulin | C26H29N9O3

lisavanbulin

  • Molecular FormulaC26H29N9O3
  • Average mass515.567 Da
  • Monoisotopic mass515.239319 Da
  • ChemSpider ID58828011

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1263384-43-5 [RN]
Hexanamide, 2,6-diamino-N-[4-[2-[2-[4-[(2-cyanoethyl)amino]-1,2,5-oxadiazol-3-yl]-1H-benzimidazol-1-yl]acetyl]phenyl]-, (2S)- [ACD/Index Name]
lisavanbulin [INN]
lisavanbulina [Spanish] [INN]
lisavanbuline [French] [INN]
lisavanbulinum [Latin] [INN]
N-{4-[(2-{4-[(2-Cyanethyl)amino]-1,2,5-oxadiazol-3-yl}-1H-benzimidazol-1-yl)acetyl]phenyl}-L-lysinamid [German] [ACD/IUPAC Name]
N-{4-[(2-{4-[(2-Cyanoethyl)amino]-1,2,5-oxadiazol-3-yl}-1H-benzimidazol-1-yl)acetyl]phenyl}-L-lysinamide [ACD/IUPAC Name]
N-{4-[2-(2-{4-[(2-Cyanoéthyl)amino]-1,2,5-oxadiazol-3-yl}-1H-benzimidazol-1-yl)acétyl]phényl}-L-lysinamide [French] [ACD/IUPAC Name]
UNII:5PT0QP06X5
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.47
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 362.2±7.0 cm3

Click to predict properties on the Chemicalize site


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