ChemSpider 2D Image | 2-{Benzyl[3-(3-methoxybenzyl)-1,2,4-thiadiazol-5-yl]amino}-1-(4-benzyl-1-piperidinyl)ethanone | C31H34N4O2S

2-{Benzyl[3-(3-methoxybenzyl)-1,2,4-thiadiazol-5-yl]amino}-1-(4-benzyl-1-piperidinyl)ethanone

  • Molecular FormulaC31H34N4O2S
  • Average mass526.692 Da
  • Monoisotopic mass526.240234 Da
  • ChemSpider ID4207936

More details:

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

2-{Benzyl[3-(3-methoxybenzyl)-1,2,4-thiadiazol-5-yl]amino}-1-(4-benzyl-1-piperidinyl)ethanon [German] [ACD/IUPAC Name]
2-{Benzyl[3-(3-methoxybenzyl)-1,2,4-thiadiazol-5-yl]amino}-1-(4-benzyl-1-piperidinyl)ethanone [ACD/IUPAC Name]
2-{Benzyl[3-(3-méthoxybenzyl)-1,2,4-thiadiazol-5-yl]amino}-1-(4-benzyl-1-pipéridinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl](phenylmethyl)amino]-1-[4-(phenylmethyl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 721.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.0±35.7 °C
Index of Refraction: 1.636
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22753.67
ACD/KOC (pH 5.5): 45739.53
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22766.66
ACD/KOC (pH 7.4): 45765.65
Polar Surface Area: 87 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 429.5±3.0 cm3

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