ChemSpider 2D Image | Methyl 4-{1-[(1,3-benzodioxol-5-ylmethyl)(1H-benzotriazol-1-ylacetyl)amino]-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}benzoate | C30H31N5O6

Methyl 4-{1-[(1,3-benzodioxol-5-ylmethyl)(1H-benzotriazol-1-ylacetyl)amino]-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}benzoate

  • Molecular FormulaC30H31N5O6
  • Average mass557.597 Da
  • Monoisotopic mass557.227417 Da
  • ChemSpider ID2433034

More details:

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

4-(1-{(1,3-Benzodioxol-5-ylméthyl)[2-(1H-benzotriazol-1-yl)acétyl]amino}-2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-[(1,3-benzodioxol-5-ylmethyl)[2-(1H-1,2,3-benzotriazol-1-yl)acetyl]amino]-2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-, methyl ester [ACD/Index Name]
Methyl 4-{1-[(1,3-benzodioxol-5-ylmethyl)(1H-benzotriazol-1-ylacetyl)amino]-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}benzoate [ACD/IUPAC Name]
Methyl-4-{1-[(1,3-benzodioxol-5-ylmethyl)(1H-benzotriazol-1-ylacetyl)amino]-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}benzoat [German] [ACD/IUPAC Name]

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

ASN 04060254 [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: 800.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.6±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 283.42
ACD/KOC (pH 5.5): 1981.77
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 283.44
ACD/KOC (pH 7.4): 1981.87
Polar Surface Area: 125 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 421.0±7.0 cm3

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