ChemSpider 2D Image | N-(4-{[3-(1H-Benzotriazol-1-yl)propanoyl]amino}-2,5-diethoxyphenyl)-4-methoxybenzamide | C27H29N5O5

N-(4-{[3-(1H-Benzotriazol-1-yl)propanoyl]amino}-2,5-diethoxyphenyl)-4-methoxybenzamide

  • Molecular FormulaC27H29N5O5
  • Average mass503.550 Da
  • Monoisotopic mass503.216858 Da
  • ChemSpider ID2422067

More details:

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

1H-1,2,3-Benzotriazole-1-propanamide, N-[2,5-diethoxy-4-[(4-methoxybenzoyl)amino]phenyl]- [ACD/Index Name]
N-(4-{[3-(1H-Benzotriazol-1-yl)propanoyl]amino}-2,5-diethoxyphenyl)-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-(4-{[3-(1H-Benzotriazol-1-yl)propanoyl]amino}-2,5-diethoxyphenyl)-4-methoxybenzamide [ACD/IUPAC Name]
N-(4-{[3-(1H-Benzotriazol-1-yl)propanoyl]amino}-2,5-diéthoxyphényl)-4-méthoxybenzamide [French] [ACD/IUPAC Name]

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

ASN 03271028 [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: 671.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 359.9±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 438.26
ACD/KOC (pH 5.5): 2706.79
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 438.61
ACD/KOC (pH 7.4): 2708.93
Polar Surface Area: 117 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 393.6±7.0 cm3

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