ChemSpider 2D Image | N-(4-Chlorobenzyl)-1-[5-(2-{[(4-methylphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide | C27H29ClN6OS

N-(4-Chlorobenzyl)-1-[5-(2-{[(4-methylphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID20290255

More details:






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

4-Piperidinecarboxamide, N-[(4-chlorophenyl)methyl]-1-[5-[2-[[(4-methylphenyl)amino]methyl]-1H-pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
N-(4-Chlorbenzyl)-1-[5-(2-{[(4-methylphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-1-[5-(2-{[(4-methylphenyl)amino]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-1-[5-(2-{[(4-méthylphényl)amino]méthyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1489.40
ACD/KOC (pH 5.5): 6324.26
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1637.16
ACD/KOC (pH 7.4): 6951.64
Polar Surface Area: 103 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 384.8±7.0 cm3

Click to predict properties on the Chemicalize site






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