ChemSpider 2D Image | neladenoson bialanate | C35H34ClN7O4S2

neladenoson bialanate

  • Molecular FormulaC35H34ClN7O4S2
  • Average mass716.272 Da
  • Monoisotopic mass715.180237 Da
  • ChemSpider ID34991499

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{4-[2-({[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-3,5-dicyano-6-(1-pyrrolidinyl)-4-pyridinyl]phenoxy}ethyl L-alanyl-L-alaninate [ACD/IUPAC Name]
2-{4-[2-({[2-(4-Chlorphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-3,5-dicyan-6-(1-pyrrolidinyl)-4-pyridinyl]phenoxy}ethyl-L-alanyl-L-alaninat [German] [ACD/IUPAC Name]
bialanate de néladénoson [French] [INN]
bialanato de neladenosón [Spanish] [INN]
L-Alanine, L-alanyl-, 2-[4-[2-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-3,5-dicyano-6-(1-pyrrolidinyl)-4-pyridinyl]phenoxy]ethyl ester [ACD/Index Name]
L-Alanyl-L-alaninate de 2-{4-[2-({[2-(4-chlorophényl)-1,3-thiazol-4-yl]méthyl}sulfanyl)-3,5-dicyano-6-(1-pyrrolidinyl)-4-pyridinyl]phénoxy}éthyle [French] [ACD/IUPAC Name]
neladenoson bialanate [INN]
neladenosoni bialanas [Latin] [INN]
Неладенозона биаланат [Russian] [INN]
نيلادينوسون بيالانات [Arabic] [INN]
More...

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: 1.681
Molar Refractivity: 189.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 11.17
ACD/KOC (pH 5.5): 50.54
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 502.01
ACD/KOC (pH 7.4): 2271.06
Polar Surface Area: 221 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 80.7±5.0 dyne/cm
Molar Volume: 501.0±5.0 cm3

Click to predict properties on the Chemicalize site


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