ChemSpider 2D Image | 2,2'-({4-[(4-{4-[(Cyanomethyl)carbamoyl]phenyl}-2-pyrimidinyl)amino]phenyl}imino)diacetic acid | C23H20N6O5

2,2'-({4-[(4-{4-[(Cyanomethyl)carbamoyl]phenyl}-2-pyrimidinyl)amino]phenyl}imino)diacetic acid

  • Molecular FormulaC23H20N6O5
  • Average mass460.442 Da
  • Monoisotopic mass460.149506 Da
  • ChemSpider ID81367203

More details:

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

2,2'-({4-[(4-{4-[(Cyanmethyl)carbamoyl]phenyl}-2-pyrimidinyl)amino]phenyl}imino)diessigsäure [German] [ACD/IUPAC Name]
2,2'-({4-[(4-{4-[(Cyanomethyl)carbamoyl]phenyl}-2-pyrimidinyl)amino]phenyl}imino)diacetic acid [ACD/IUPAC Name]
Acide 2,2'-({4-[(4-{4-[(cyanométhyl)carbamoyl]phényl}-2-pyrimidinyl)amino]phényl}imino)diacétique [French] [ACD/IUPAC Name]
Glycine, N-(carboxymethyl)-N-[4-[[4-[4-[[(cyanomethyl)amino]carbonyl]phenyl]-2-pyrimidinyl]amino]phenyl]- [ACD/Index Name]

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: 1.689
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -2.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 317.7±3.0 cm3

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