ChemSpider 2D Image | (2R)-2-Ethylhexyl (2S)-2-ethylhexyl 4,4'-{[6-({4-[(2-methyl-2-propanyl)carbamoyl]phenyl}amino)-1,3,5-triazine-2,4-diyl]diimino}dibenzoate | C44H59N7O5

(2R)-2-Ethylhexyl (2S)-2-ethylhexyl 4,4'-{[6-({4-[(2-methyl-2-propanyl)carbamoyl]phenyl}amino)-1,3,5-triazine-2,4-diyl]diimino}dibenzoate

  • Molecular FormulaC44H59N7O5
  • Average mass765.983 Da
  • Monoisotopic mass765.457764 Da
  • ChemSpider ID34996101

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-Ethylhexyl (2S)-2-ethylhexyl 4,4'-{[6-({4-[(2-methyl-2-propanyl)carbamoyl]phenyl}amino)-1,3,5-triazine-2,4-diyl]diimino}dibenzoate [ACD/IUPAC Name]
(2R)-2-Ethylhexyl-(2S)-2-ethylhexyl-4,4'-{[6-({4-[(2-methyl-2-propanyl)carbamoyl]phenyl}amino)-1,3,5-triazin-2,4-diyl]diimino}dibenzoat [German] [ACD/IUPAC Name]
4,4'-{[6-({4-[(2-Méthyl-2-propanyl)carbamoyl]phényl}amino)-1,3,5-triazine-2,4-diyl]diimino}dibenzoate de (2R)-2-éthylhexyle et de (2S)-2-éthylhexyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-, (2R)-2-ethylhexyl (2S)-2-ethylhexyl ester [ACD/Index Name]
154702-15-5 [RN]
Iscotrizinol [USAN] [Wiki]
UNII-2UTZ0QC864

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: 1.590
Molar Refractivity: 224.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 11.89
ACD/LogD (pH 5.5): 10.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8207768.50
ACD/LogD (pH 7.4): 10.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8208246.00
Polar Surface Area: 156 Å2
Polarizability: 89.0±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 664.8±3.0 cm3

Click to predict properties on the Chemicalize site


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