ChemSpider 2D Image | 1-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-[5-(5-pyrimidinyl)-9,12-dioxa-15-azatricyclo[15.3.1.0~3,8~]henicosa-1(21),3,5,7,17,19-hexaen-15-yl]ethanone | C35H39N5O4

1-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-[5-(5-pyrimidinyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-15-yl]ethanone

  • Molecular FormulaC35H39N5O4
  • Average mass593.715 Da
  • Monoisotopic mass593.300232 Da
  • ChemSpider ID113558994

More details:

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

1-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-[5-(5-pyrimidinyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-15-yl]ethanon [German] [ACD/IUPAC Name]
1-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-[5-(5-pyrimidinyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-15-yl]ethanone [ACD/IUPAC Name]
1-[4-(2-Méthoxyphényl)-1-pipérazinyl]-2-[5-(5-pyrimidinyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]hénicosa-1(21),3,5,7,17,19-hexaén-15-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[2,3,5,6-tetrahydro-16-(5-pyrimidinyl)-14H-13,9-metheno-1,4,7-benzodioxaazacyclohexadecin-7(8H)-yl]- [ACD/Index 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: 797.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 436.2±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 168.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 153.60
ACD/KOC (pH 5.5): 825.67
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 683.42
ACD/KOC (pH 7.4): 3673.73
Polar Surface Area: 80 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 499.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement