ChemSpider 2D Image | N~2~-(1H-Benzotriazol-1-ylacetyl)-N-[4-(dimethylamino)phenyl]-N~2~-(4-methoxybenzyl)valinamide | C29H34N6O3

N2-(1H-Benzotriazol-1-ylacetyl)-N-[4-(dimethylamino)phenyl]-N2-(4-methoxybenzyl)valinamide

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID2616801

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[1-[[[4-(dimethylamino)phenyl]amino]carbonyl]-2-methylpropyl]-N-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
2-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-methoxybenzyl)acetamido)-N-(4-(dimethylamino)phenyl)-3-methylbutanamide
N2-(1H-Benzotriazol-1-ylacetyl)-N-[4-(dimethylamino)phenyl]-N2-(4-methoxybenzyl)valinamid [German] [ACD/IUPAC Name]
N2-(1H-Benzotriazol-1-ylacetyl)-N-[4-(dimethylamino)phenyl]-N2-(4-methoxybenzyl)valinamide [ACD/IUPAC Name]
N2-[2-(1H-Benzotriazol-1-yl)acétyl]-N-[4-(diméthylamino)phényl]-N2-(4-méthoxybenzyl)valinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 759.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 412.9±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 375.98
ACD/KOC (pH 5.5): 1815.60
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1019.64
ACD/KOC (pH 7.4): 4923.88
Polar Surface Area: 93 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 427.9±7.0 cm3

Click to predict properties on the Chemicalize site


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