ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-(4-methoxybenzyl)-N-{2-oxo-1-phenyl-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide | C29H31N5O4

2-(1H-Benzotriazol-1-yl)-N-(4-methoxybenzyl)-N-{2-oxo-1-phenyl-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID2442589

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-(4-methoxybenzyl)-N-{2-oxo-1-phenyl-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-(4-methoxybenzyl)-N-{2-oxo-1-phenyl-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-(4-méthoxybenzyl)-N-{2-oxo-1-phényl-2-[(tétrahydro-2-furanylméthyl)amino]éthyl}acétamide [French] [ACD/IUPAC Name]

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

ASN 04884757 [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: 790.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 432.0±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.51
ACD/KOC (pH 5.5): 1502.50
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.52
ACD/KOC (pH 7.4): 1502.57
Polar Surface Area: 99 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 398.6±7.0 cm3

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