ChemSpider 2D Image | 3-Butoxy-N-{3-chloro-4-[4-(4-propoxybenzoyl)-1-piperazinyl]phenyl}benzamide | C31H36ClN3O4

3-Butoxy-N-{3-chloro-4-[4-(4-propoxybenzoyl)-1-piperazinyl]phenyl}benzamide

  • Molecular FormulaC31H36ClN3O4
  • Average mass550.088 Da
  • Monoisotopic mass549.239441 Da
  • ChemSpider ID3869176

More details:

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

3-Butoxy-N-{3-chlor-4-[4-(4-propoxybenzoyl)-1-piperazinyl]phenyl}benzamid [German] [ACD/IUPAC Name]
3-Butoxy-N-{3-chloro-4-[4-(4-propoxybenzoyl)-1-piperazinyl]phenyl}benzamide [ACD/IUPAC Name]
3-Butoxy-N-{3-chloro-4-[4-(4-propoxybenzoyl)-1-pipérazinyl]phényl}benzamide [French] [ACD/IUPAC Name]
3-Butoxy-N-{3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl}benzamide
Benzamide, 3-butoxy-N-[3-chloro-4-[4-(4-propoxybenzoyl)-1-piperazinyl]phenyl]- [ACD/Index Name]
3-butoxy-N-(3-chloro-4-{4-[(4-propoxyphenyl)carbonyl]piperazin-1-yl}phenyl)benzamide
3-Butoxy-N-{3-chloro-4-[4-(4-propoxy-benzoyl)-piperazin-1-yl]-phenyl}-benzamide

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

ZINC04122897 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 668.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 358.0±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 155.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17387.06
ACD/KOC (pH 5.5): 37726.98
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17399.36
ACD/KOC (pH 7.4): 37753.67
Polar Surface Area: 71 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 451.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement