ChemSpider 2D Image | Ethyl [5-(3-{[3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanoyl]amino}phenyl)-2H-tetrazol-2-yl]acetate | C23H23N7O5

Ethyl [5-(3-{[3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanoyl]amino}phenyl)-2H-tetrazol-2-yl]acetate

  • Molecular FormulaC23H23N7O5
  • Average mass477.473 Da
  • Monoisotopic mass477.176056 Da
  • ChemSpider ID35002321

More details:






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

[5-(3-{[3-(2-Hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazépin-3-yl)propanoyl]amino}phényl)-2H-tétrazol-2-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
2H-Tetrazole-2-acetic acid, 5-[3-[[3-(4,5-dihydro-2-hydroxy-5-oxo-3H-1,4-benzodiazepin-3-yl)-1-oxopropyl]amino]phenyl]-, ethyl ester [ACD/Index Name]
Ethyl [5-(3-{[3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanoyl]amino}phenyl)-2H-tetrazol-2-yl]acetate [ACD/IUPAC Name]
Ethyl-[5-(3-{[3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanoyl]amino}phenyl)-2H-tetrazol-2-yl]acetat [German] [ACD/IUPAC Name]
2058404-70-7 [RN]
C23H23N7O5
ethyl 2-[5-[3-[3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)propanoylamino]phenyl]tetrazol-2-yl]acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 125.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 31.22
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.37
Polar Surface Area: 161 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 322.1±7.0 cm3

Click to predict properties on the Chemicalize site






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