ChemSpider 2D Image | 1-{2-[3-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl]ethyl}-4-phenyl-3-piperidinecarboxamide | C34H39Cl2N3O5

1-{2-[3-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl]ethyl}-4-phenyl-3-piperidinecarboxamide

  • Molecular FormulaC34H39Cl2N3O5
  • Average mass640.597 Da
  • Monoisotopic mass639.226685 Da
  • ChemSpider ID48074626

More details:

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

1-{2-[3-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl]ethyl}-4-phenyl-3-piperidinecarboxamide [ACD/IUPAC Name]
1-{2-[3-(3,4-Dichlorophényl)-1-(3,4,5-triméthoxybenzoyl)-3-pyrrolidinyl]éthyl}-4-phényl-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-{2-[3-(3,4-Dichlorphenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl]ethyl}-4-phenyl-3-piperidincarboxamid [German] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl]ethyl]-4-phenyl- [ACD/Index Name]
167261-47-4 [RN]
3-(3,4-DICHLOROPHENYL)-1-(3,4,5-TRIMETHOXYBENZOYL)-3-[(3-ACETAMIDO-4-PHENYLPIPERAZIN-1-YL)ETHYL]PYRROLIDINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 808.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 442.4±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 172.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 10.53
ACD/KOC (pH 5.5): 31.48
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 447.90
ACD/KOC (pH 7.4): 1338.39
Polar Surface Area: 94 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 509.0±3.0 cm3

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