ChemSpider 2D Image | N-Cyclopropyl-3-{[(3-methoxyphenyl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide | C29H31N5O4

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

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID3317759

More details:

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

Benzamide, N-cyclopropyl-3-[[[(3-methoxyphenyl)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-Cyclopropyl-3-{[(3-methoxyphenyl)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-Cyclopropyl-3-{[(3-methoxyphenyl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide [ACD/IUPAC Name]
N-Cyclopropyl-3-{[(3-méthoxyphényl)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-cyclopropyl-3-({[(3-methoxyphenyl)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, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 704.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.9±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.90
ACD/KOC (pH 5.5): 441.27
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.25
ACD/KOC (pH 7.4): 445.68
Polar Surface Area: 103 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 370.0±5.0 cm3

Click to predict properties on the Chemicalize site


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