ChemSpider 2D Image | TCMDC-136264 | C29H36Cl2N4O2

TCMDC-136264

  • Molecular FormulaC29H36Cl2N4O2
  • Average mass543.528 Da
  • Monoisotopic mass542.221558 Da
  • ChemSpider ID24576255

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

2-(3,4-Dichlorophenyl)-N-(5-{(3S)-3-[(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]-1-pyrrolidinyl}pentyl)cyclopropanecarboxamide [ACD/IUPAC Name]
2-(3,4-Dichlorophényl)-N-(5-{(3S)-3-[(2,3-dihydro-1H-indén-5-ylcarbamoyl)amino]-1-pyrrolidinyl}pentyl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
2-(3,4-Dichlorophenyl)-N-(5-{(3S)-3-[(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]pyrrolidin-1-yl}pentyl)cyclopropanecarboxamide
2-(3,4-Dichlorphenyl)-N-(5-{(3S)-3-[(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]-1-pyrrolidinyl}pentyl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
Cyclopropanecarboxamide, 2-(3,4-dichlorophenyl)-N-[5-[(3S)-3-[[[(2,3-dihydro-1H-inden-5-yl)amino]carbonyl]amino]-1-pyrrolidinyl]pentyl]- [ACD/Index Name]
TCMDC-136264
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL524206/
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 1.079136428 GlaxoSmithKline Malaria Set

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.6±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 8.80
ACD/KOC (pH 5.5): 22.72
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 110.45
ACD/KOC (pH 7.4): 285.28
Polar Surface Area: 73 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 415.3±5.0 cm3

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