ChemSpider 2D Image | Methyl 4-{1-[(1H-benzotriazol-1-ylacetyl)(phenyl)amino]-2-(cyclohexylamino)-2-oxoethyl}benzoate | C30H31N5O4

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

  • Molecular FormulaC30H31N5O4
  • Average mass525.598 Da
  • Monoisotopic mass525.237610 Da
  • ChemSpider ID2432883

More details:

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

4-[1-{[2-(1H-Benzotriazol-1-yl)acétyl](phényl)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]phenylamino]-2-(cyclohexylamino)-2-oxoethyl]-, methyl ester [ACD/Index Name]
Methyl 4-{1-[(1H-benzotriazol-1-ylacetyl)(phenyl)amino]-2-(cyclohexylamino)-2-oxoethyl}benzoate [ACD/IUPAC Name]
Methyl-4-{1-[(1H-benzotriazol-1-ylacetyl)(phenyl)amino]-2-(cyclohexylamino)-2-oxoethyl}benzoat [German] [ACD/IUPAC Name]

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

ASN 04059646 [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: 773.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.4±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 148.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 658.18
ACD/KOC (pH 5.5): 3622.14
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 658.20
ACD/KOC (pH 7.4): 3622.29
Polar Surface Area: 106 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 405.4±7.0 cm3

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