ChemSpider 2D Image | Methyl 3-{[2-(1H-benzotriazol-1-yl)propanoyl][2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino}benzoate | C32H35N5O5

Methyl 3-{[2-(1H-benzotriazol-1-yl)propanoyl][2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino}benzoate

  • Molecular FormulaC32H35N5O5
  • Average mass569.651 Da
  • Monoisotopic mass569.263794 Da
  • ChemSpider ID2443513

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 de méthyle [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]-, methyl ester [ACD/Index Name]
Methyl 3-{[2-(1H-benzotriazol-1-yl)propanoyl][2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino}benzoate [ACD/IUPAC Name]
Methyl-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 04935692 [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: 802.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 439.4±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 159.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 748.73
ACD/KOC (pH 5.5): 3972.22
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 748.80
ACD/KOC (pH 7.4): 3972.58
Polar Surface Area: 116 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 442.1±7.0 cm3

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