ChemSpider 2D Image | N-[2-(1-Cyclohexen-1-yl)ethyl]-3-{[(2,4-dimethoxyphenyl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide | C35H41N5O5

N-[2-(1-Cyclohexen-1-yl)ethyl]-3-{[(2,4-dimethoxyphenyl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide

  • Molecular FormulaC35H41N5O5
  • Average mass611.731 Da
  • Monoisotopic mass611.310791 Da
  • ChemSpider ID22473605

More details:






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

Benzamide, N-[2-(1-cyclohexen-1-yl)ethyl]-3-[[[(2,4-dimethoxyphenyl)amino]carbonyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)- [ACD/Index Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-3-{[(2,4-dimethoxyphenyl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamid [German] [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-3-{[(2,4-dimethoxyphenyl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide [ACD/IUPAC Name]
N-[2-(1-Cyclohexén-1-yl)éthyl]-3-{[(2,4-diméthoxyphényl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)benzamide [French] [ACD/IUPAC Name]
N-(2-cyclohex-1-en-1-ylethyl)-3-({[(2,4-dimethoxyphenyl)amino]carbonyl}amino)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 776.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.4±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 171.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1855.61
ACD/KOC (pH 5.5): 7585.28
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1873.50
ACD/KOC (pH 7.4): 7658.42
Polar Surface Area: 112 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 464.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement