ChemSpider 2D Image | Ethyl 3-{[2-(1H-benzotriazol-1-yl)propanoyl][2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino}benzoate | C33H37N5O5

Ethyl 3-{[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 ID2443012

More details:

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

3-{[2-(1H-Benzotriazol-1-yl)propanoyl][2-(cyclohexylamino)-1-(4-méthoxyphényl)-2-oxoéthyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-(1H-1,2,3-benzotriazol-1-yl)-1-oxopropyl][2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 3-{[2-(1H-benzotriazol-1-yl)propanoyl][2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-3-{[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 04886879 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 808.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 442.6±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: 5.83
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1932.21
ACD/KOC (pH 5.5): 7829.66
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1932.39
ACD/KOC (pH 7.4): 7830.38
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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