ChemSpider 2D Image | 1-{6-[(4-Isopropylphenyl)sulfanyl]-3-pyridazinyl}-4-piperidinecarboxylic acid | C19H23N3O2S

1-{6-[(4-Isopropylphenyl)sulfanyl]-3-pyridazinyl}-4-piperidinecarboxylic acid

  • Molecular FormulaC19H23N3O2S
  • Average mass357.470 Da
  • Monoisotopic mass357.151093 Da
  • ChemSpider ID28948483

More details:

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

1-(6-{[4-(propan-2-yl)phenyl]sulfanyl}pyridazin-3-yl)piperidine-4-carboxylic acid
1-{6-[(4-Isopropylphenyl)sulfanyl]-3-pyridazinyl}-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-{6-[(4-Isopropylphenyl)sulfanyl]-3-pyridazinyl}-4-piperidinecarboxylic acid [ACD/IUPAC Name]
1113110-31-8 [RN]
4-Piperidinecarboxylic acid, 1-[6-[[4-(1-methylethyl)phenyl]thio]-3-pyridazinyl]- [ACD/Index Name]
Acide 1-{6-[(4-isopropylphényl)sulfanyl]-3-pyridazinyl}-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
[1113110-31-8] [RN]
1-{6-[(4-ISOPROPYLPHENYL)SULFANYL]PYRIDAZIN-3-YL}PIPERIDINE-4-CARBOXYLIC ACID
1-{6-[(4-isopropylphenyl)thio]pyridazin-3-yl}piperidine-4-carboxylic acid
BS-6452
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 620.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.2±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 81.83
ACD/KOC (pH 5.5): 433.24
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 7.39
Polar Surface Area: 92 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 279.3±5.0 cm3

Click to predict properties on the Chemicalize site


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