ChemSpider 2D Image | N,N'-Diallyl-6-{4-[(3,3-diphenylpropyl)sulfanyl]-1-piperidinyl}-1,3,5-triazine-2,4-diamine | C29H36N6S

N,N'-Diallyl-6-{4-[(3,3-diphenylpropyl)sulfanyl]-1-piperidinyl}-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC29H36N6S
  • Average mass500.701 Da
  • Monoisotopic mass500.272217 Da
  • ChemSpider ID14391025

More details:

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

1,3,5-Triazine-2,4-diamine, 6-[4-[(3,3-diphenylpropyl)thio]-1-piperidinyl]-N2,N4-di-2-propen-1-yl- [ACD/Index Name]
6-{4-[(3,3-diphenylpropyl)sulfanyl]piperidin-1-yl}-N,N'-di(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
N,N'-Diallyl-6-{4-[(3,3-diphenylpropyl)sulfanyl]-1-piperidinyl}-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
N,N'-Diallyl-6-{4-[(3,3-diphenylpropyl)sulfanyl]-1-piperidinyl}-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N,N'-Diallyl-6-{4-[(3,3-diphénylpropyl)sulfanyl]-1-pipéridinyl}-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450272/
N,N'-Diallyl-6-[4-(3,3-diphenyl-propylsulfanyl)-piperidin-1-yl]-[1,3,5]triazine-2,4-diamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.0±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 151.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 128.23
ACD/KOC (pH 5.5): 291.81
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 4563.10
ACD/KOC (pH 7.4): 10383.76
Polar Surface Area: 91 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 422.8±5.0 cm3

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