ChemSpider 2D Image | Ethyl {4-[({5-chloro-2-[(1-isopropyl-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}carbamoyl)amino]phenyl}acetate | C26H27ClN6O5

Ethyl {4-[({5-chloro-2-[(1-isopropyl-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}carbamoyl)amino]phenyl}acetate

  • Molecular FormulaC26H27ClN6O5
  • Average mass538.983 Da
  • Monoisotopic mass538.173157 Da
  • ChemSpider ID25951931

More details:

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

{4-[({5-Chloro-2-[(1-isopropyl-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)méthoxy]phényl}carbamoyl)amino]phényl}acétate d'éthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[[[[5-chloro-2-[[1,7-dihydro-1-(1-methylethyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy]phenyl]amino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl {4-[({5-chloro-2-[(1-isopropyl-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}carbamoyl)amino]phenyl}acetate [ACD/IUPAC Name]
Ethyl-{4-[({5-chlor-2-[(1-isopropyl-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}carbamoyl)amino]phenyl}acetat [German] [ACD/IUPAC Name]
(4-{3-[5-Chloro-2-(1-isopropyl-7-oxo-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ylmethoxy)-phenyl]-ureido}-phenyl)-acetic acid ethyl ester

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: 1.650
Molar Refractivity: 141.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 229.86
ACD/KOC (pH 5.5): 1569.51
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 306.80
ACD/KOC (pH 7.4): 2094.86
Polar Surface Area: 125 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 388.4±7.0 cm3

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