Found 48 results

Search term: MF = 'C_{31}H_{35}N_{3}OS'
ChemSpider 2D Image | N-(4-{4-[Benzyl(phenyl)amino]-1-piperidinyl}butyl)-1-benzothiophene-2-carboxamide | C31H35N3OS

N-(4-{4-[Benzyl(phenyl)amino]-1-piperidinyl}butyl)-1-benzothiophene-2-carboxamide

  • Molecular FormulaC31H35N3OS
  • Average mass497.694 Da
  • Monoisotopic mass497.250092 Da
  • ChemSpider ID23300857

More details:

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

Benzo[b]thiophene-2-carboxamide, N-[4-[4-[phenyl(phenylmethyl)amino]-1-piperidinyl]butyl]- [ACD/Index Name]
N-(4-{4-[Benzyl(phenyl)amino]-1-piperidinyl}butyl)-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-(4-{4-[Benzyl(phenyl)amino]-1-piperidinyl}butyl)-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-(4-{4-[Benzyl(phényl)amino]-1-pipéridinyl}butyl)-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
N-(4-{4-[benzyl(phenyl)amino]piperidin-1-yl}butyl)-1-benzothiophene-2-carboxamide
CHEMBL392579
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL392579/
N-(4-{4-[benzyl(phenyl)amino]piperidin-1-yl}butyl)-benzo[b]thiophen-2-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 716.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.0±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 153.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.15
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 82.83
ACD/KOC (pH 5.5): 125.06
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 2650.57
ACD/KOC (pH 7.4): 4001.85
Polar Surface Area: 64 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 420.6±3.0 cm3

Click to predict properties on the Chemicalize site


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