ChemSpider 2D Image | N-(2-{4-[6-(2,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxy-N-(1-phenylethyl)benzamide | C35H39N5O5

N-(2-{4-[6-(2,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxy-N-(1-phenylethyl)benzamide

  • Molecular FormulaC35H39N5O5
  • Average mass609.715 Da
  • Monoisotopic mass609.295105 Da
  • ChemSpider ID22677620

More details:

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

Benzamide, N-[2-[4-[6-(2,4-dimethoxyphenyl)-3-pyridazinyl]hexahydro-1H-1,4-diazepin-1-yl]-2-oxoethyl]-3-methoxy-N-(1-phenylethyl)- [ACD/Index Name]
N-(2-{4-[6-(2,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxy-N-(1-phenylethyl)benzamid [German] [ACD/IUPAC Name]
N-(2-{4-[6-(2,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxy-N-(1-phenylethyl)benzamide [ACD/IUPAC Name]
N-(2-{4-[6-(2,4-Diméthoxyphényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-3-méthoxy-N-(1-phényléthyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 838.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 461.1±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 171.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 567.55
ACD/KOC (pH 5.5): 2803.35
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 954.45
ACD/KOC (pH 7.4): 4714.40
Polar Surface Area: 97 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 503.1±3.0 cm3

Click to predict properties on the Chemicalize site


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