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

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

  • Molecular FormulaC34H39Cl2N3O5
  • Average mass640.597 Da
  • Monoisotopic mass639.226685 Da
  • ChemSpider ID8007042

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{2-[(3S)-3-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl]ethyl}-4-phenyl-4-piperidinecarboxamide [ACD/IUPAC Name]
1-{2-[(3S)-3-(3,4-Dichlorophényl)-1-(3,4,5-triméthoxybenzoyl)-3-pyrrolidinyl]éthyl}-4-phényl-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-{2-[(3S)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl}-4-phenylpiperidine-4-carboxamide
1-{2-[(3S)-3-(3,4-Dichlorphenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl]ethyl}-4-phenyl-4-piperidincarboxamid [German] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[2-[(3S)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl]ethyl]-4-phenyl- [ACD/Index Name]
1-{2-[3-((S)-3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
CHEMBL372587
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL372587/
MDL 105,212A (R)-enantiomer

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

Density: 1.3±0.1 g/cm3
Boiling Point: 804.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 440.2±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 172.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 13.32
ACD/KOC (pH 5.5): 38.18
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 593.44
ACD/KOC (pH 7.4): 1700.62
Polar Surface Area: 94 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 507.5±3.0 cm3

Click to predict properties on the Chemicalize site


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