ChemSpider 2D Image | N-(4-Butylphenyl)-2-({6-[4-(1-piperidinylcarbonyl)-1-piperidinyl]-3-pyridazinyl}sulfanyl)acetamide | C27H37N5O2S

N-(4-Butylphenyl)-2-({6-[4-(1-piperidinylcarbonyl)-1-piperidinyl]-3-pyridazinyl}sulfanyl)acetamide

  • Molecular FormulaC27H37N5O2S
  • Average mass495.680 Da
  • Monoisotopic mass495.266785 Da
  • ChemSpider ID28948849

More details:

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

Acetamide, N-(4-butylphenyl)-2-[[6-[4-(1-piperidinylcarbonyl)-1-piperidinyl]-3-pyridazinyl]thio]- [ACD/Index Name]
N-(4-Butylphenyl)-2-({6-[4-(1-piperidinylcarbonyl)-1-piperidinyl]-3-pyridazinyl}sulfanyl)acetamid [German] [ACD/IUPAC Name]
N-(4-Butylphenyl)-2-({6-[4-(1-piperidinylcarbonyl)-1-piperidinyl]-3-pyridazinyl}sulfanyl)acetamide [ACD/IUPAC Name]
N-(4-Butylphényl)-2-({6-[4-(1-pipéridinylcarbonyl)-1-pipéridinyl]-3-pyridazinyl}sulfanyl)acétamide [French] [ACD/IUPAC Name]
N-(4-BUTYLPHENYL)-2-({6-[4-(PIPERIDINE-1-CARBONYL)PIPERIDIN-1-YL]PYRIDAZIN-3-YL}SULFANYL)ACETAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 771.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.2±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1342.25
ACD/KOC (pH 5.5): 6004.59
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1364.10
ACD/KOC (pH 7.4): 6102.33
Polar Surface Area: 104 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 402.2±5.0 cm3

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