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Search term: CUCWZYQDBVIKSE (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Ethyl 4-{[2-(1H-benzotriazol-1-yl)propanoyl][2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino}benzoate | C33H37N5O5

Ethyl 4-{[2-(1H-benzotriazol-1-yl)propanoyl][2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino}benzoate

  • Molecular FormulaC33H37N5O5
  • Average mass583.677 Da
  • Monoisotopic mass583.279480 Da
  • ChemSpider ID2443009

More details:






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

4-{[2-(1H-Benzotriazol-1-yl)propanoyl][2-(cyclohexylamino)-1-(4-méthoxyphényl)-2-oxoéthyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-(1H-1,2,3-benzotriazol-1-yl)-1-oxopropyl][2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[2-(1H-benzotriazol-1-yl)propanoyl][2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[2-(1H-benzotriazol-1-yl)propanoyl][2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino}benzoat [German] [ACD/IUPAC Name]

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

ASN 04886876 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 808.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 443.0±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 163.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2142.37
ACD/KOC (pH 5.5): 8430.23
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2142.56
ACD/KOC (pH 7.4): 8430.99
Polar Surface Area: 116 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 458.2±7.0 cm3

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