ChemSpider 2D Image | N-{5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl}-3,5-dimethoxybenzamide | C33H37N5O6

N-{5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl}-3,5-dimethoxybenzamide

  • Molecular FormulaC33H37N5O6
  • Average mass599.677 Da
  • Monoisotopic mass599.274414 Da
  • ChemSpider ID5048785

More details:

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

Benzamide, N-[5-[(4-acetyl-1-piperazinyl)carbonyl]-2-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-3,5-dimethoxy- [ACD/Index Name]
N-{5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl}-3,5-dimethoxybenzamid [German] [ACD/IUPAC Name]
N-{5-[(4-Acetyl-1-piperazinyl)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl}-3,5-dimethoxybenzamide [ACD/IUPAC Name]
N-{5-[(4-Acétyl-1-pipérazinyl)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)phényl}-3,5-diméthoxybenzamide [French] [ACD/IUPAC Name]

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

CDS1_002326 [DBID]
ChemDiv1_015062 [DBID]
DivK1c_003366 [DBID]
EU-0095649 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 833.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 458.0±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 163.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.20
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.56
ACD/KOC (pH 5.5): 86.23
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.57
ACD/KOC (pH 7.4): 86.50
Polar Surface Area: 112 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 433.4±5.0 cm3

Click to predict properties on the Chemicalize site


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