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Search term: WGYADTYMBNCFLS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 3-[(1H-benzotriazol-1-ylacetyl){2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl}amino]benzoate | C29H31N5O4

Methyl 3-[(1H-benzotriazol-1-ylacetyl){2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl}amino]benzoate

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID2446534

More details:

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

1032938-27-4 [RN]
3-([2-(1H-Benzotriazol-1-yl)acétyl]{2-[(3-méthylbutyl)amino]-2-oxo-1-phényléthyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-(1H-1,2,3-benzotriazol-1-yl)acetyl][2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-[(1H-benzotriazol-1-ylacetyl){2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl}amino]benzoate [ACD/IUPAC Name]
Methyl 3-[[2-(1H-benzotriazol-1-yl)acetyl][2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl]amino]benzoate
Methyl-3-[(1H-benzotriazol-1-ylacetyl){2-[(3-methylbutyl)amino]-2-oxo-1-phenylethyl}amino]benzoat [German] [ACD/IUPAC Name]

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

ASN 05212232 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 750.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.8±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 146.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 385.39
ACD/KOC (pH 5.5): 2469.39
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 385.41
ACD/KOC (pH 7.4): 2469.49
Polar Surface Area: 106 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 416.1±7.0 cm3

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