ChemSpider 2D Image | 3-Butoxy-N-({4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}carbothioyl)benzamide | C27H35N5O4S

3-Butoxy-N-({4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}carbothioyl)benzamide

  • Molecular FormulaC27H35N5O4S
  • Average mass525.663 Da
  • Monoisotopic mass525.240967 Da
  • ChemSpider ID12715525

More details:

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

3-Butoxy-N-({4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl}carbonothioyl)benzamid [German] [ACD/IUPAC Name]
3-Butoxy-N-({4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl}carbonothioyl)benzamide [ACD/IUPAC Name]
3-Butoxy-N-({4-[4-nitro-3-(1-pipéridinyl)phényl]-1-pipérazinyl}carbonothioyl)benzamide [French] [ACD/IUPAC Name]
3-Butoxy-N-({4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}carbothioyl)benzamide
Benzamide, 3-butoxy-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]thioxomethyl]- [ACD/Index Name]
3-butoxy-N-({4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}carbonothioyl)benzamide
3-Butoxy-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)-piperazine-1-carbothioyl]-benzamide
3-BUTOXY-N-{4-[4-NITRO-3-(PIPERIDIN-1-YL)PHENYL]PIPERAZINE-1-CARBOTHIOYL}BENZAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3276.75
ACD/KOC (pH 5.5): 11415.00
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3269.27
ACD/KOC (pH 7.4): 11388.96
Polar Surface Area: 126 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 417.7±3.0 cm3

Click to predict properties on the Chemicalize site


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