Found 48 results

Search term: MF = 'C_{31}H_{35}N_{3}OS'
ChemSpider 2D Image | 1-{[1-(3-Methylbenzyl)-1H-indol-2-yl]methyl}-N-[4-(methylsulfanyl)benzyl]-4-piperidinecarboxamide | C31H35N3OS

1-{[1-(3-Methylbenzyl)-1H-indol-2-yl]methyl}-N-[4-(methylsulfanyl)benzyl]-4-piperidinecarboxamide

  • Molecular FormulaC31H35N3OS
  • Average mass497.694 Da
  • Monoisotopic mass497.250092 Da
  • ChemSpider ID28315230

More details:

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

1-{[1-(3-Methylbenzyl)-1H-indol-2-yl]methyl}-N-[4-(methylsulfanyl)benzyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-{[1-(3-Methylbenzyl)-1H-indol-2-yl]methyl}-N-[4-(methylsulfanyl)benzyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
1-{[1-(3-Méthylbenzyl)-1H-indol-2-yl]méthyl}-N-[4-(méthylsulfanyl)benzyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[[1-[(3-methylphenyl)methyl]-1H-indol-2-yl]methyl]-N-[[4-(methylthio)phenyl]methyl]- [ACD/Index Name]
1-{[1-(3-methylbenzyl)-1H-indol-2-yl]methyl}-N-[4-(methylthio)benzyl]piperidine-4-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: 731.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 396.0±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 151.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 29.77
ACD/KOC (pH 5.5): 62.93
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 1110.44
ACD/KOC (pH 7.4): 2347.26
Polar Surface Area: 63 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 424.8±7.0 cm3

Click to predict properties on the Chemicalize site


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