ChemSpider 2D Image | 4-Chlorobenzyl 1-{6-[(4-isopropylphenyl)sulfanyl]-3-pyridazinyl}-4-piperidinecarboxylate | C26H28ClN3O2S

4-Chlorobenzyl 1-{6-[(4-isopropylphenyl)sulfanyl]-3-pyridazinyl}-4-piperidinecarboxylate

  • Molecular FormulaC26H28ClN3O2S
  • Average mass482.037 Da
  • Monoisotopic mass481.159088 Da
  • ChemSpider ID22948580

More details:

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

1-{6-[(4-Isopropylphényl)sulfanyl]-3-pyridazinyl}-4-pipéridinecarboxylate de 4-chlorobenzyle [French] [ACD/IUPAC Name]
4-Chlorbenzyl-1-{6-[(4-isopropylphenyl)sulfanyl]-3-pyridazinyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Chlorobenzyl 1-{6-[(4-isopropylphenyl)sulfanyl]-3-pyridazinyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[6-[[4-(1-methylethyl)phenyl]thio]-3-pyridazinyl]-, (4-chlorophenyl)methyl ester [ACD/Index Name]
(4-CHLOROPHENYL)METHYL 1-(6-{[4-(PROPAN-2-YL)PHENYL]SULFANYL}PYRIDAZIN-3-YL)PIPERIDINE-4-CARBOXYLATE
(4-CHLOROPHENYL)METHYL 1-{6-[(4-ISOPROPYLPHENYL)SULFANYL]PYRIDAZIN-3-YL}PIPERIDINE-4-CARBOXYLATE
1031990-38-1 [RN]
4-chlorobenzyl 1-(6-((4-isopropylphenyl)thio)pyridazin-3-yl)piperidine-4-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.2±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26595.58
ACD/KOC (pH 5.5): 50956.89
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26951.18
ACD/KOC (pH 7.4): 51638.21
Polar Surface Area: 81 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 373.6±5.0 cm3

Click to predict properties on the Chemicalize site


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