ChemSpider 2D Image | Methyl 4-{1-[(1H-benzotriazol-1-ylacetyl)(4-methoxybenzyl)amino]-2-(cyclohexylamino)-2-oxoethyl}benzoate | C32H35N5O5

Methyl 4-{1-[(1H-benzotriazol-1-ylacetyl)(4-methoxybenzyl)amino]-2-(cyclohexylamino)-2-oxoethyl}benzoate

  • Molecular FormulaC32H35N5O5
  • Average mass569.651 Da
  • Monoisotopic mass569.263794 Da
  • ChemSpider ID2432885

More details:

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

4-[1-{[2-(1H-Benzotriazol-1-yl)acétyl](4-méthoxybenzyl)amino}-2-(cyclohexylamino)-2-oxoéthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-[[2-(1H-1,2,3-benzotriazol-1-yl)acetyl][(4-methoxyphenyl)methyl]amino]-2-(cyclohexylamino)-2-oxoethyl]-, methyl ester [ACD/Index Name]
Methyl 4-{1-[(1H-benzotriazol-1-ylacetyl)(4-methoxybenzyl)amino]-2-(cyclohexylamino)-2-oxoethyl}benzoate [ACD/IUPAC Name]
Methyl-4-{1-[(1H-benzotriazol-1-ylacetyl)(4-methoxybenzyl)amino]-2-(cyclohexylamino)-2-oxoethyl}benzoat [German] [ACD/IUPAC Name]

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

ASN 04059648 [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: 824.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 452.3±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 159.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1334.77
ACD/KOC (pH 5.5): 6008.38
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1334.83
ACD/KOC (pH 7.4): 6008.68
Polar Surface Area: 116 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 443.0±7.0 cm3

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