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Search term: IGVYCVBUHQMNRZ-QNIAMRLHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-(3-Azetidinylamino)-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)-2-thienyl]phenyl}ethyl]-2-methylbenzamide | C29H36N4O2S

5-(3-Azetidinylamino)-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)-2-thienyl]phenyl}ethyl]-2-methylbenzamide

  • Molecular FormulaC29H36N4O2S
  • Average mass504.687 Da
  • Monoisotopic mass504.255890 Da
  • ChemSpider ID129298580

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-(3-Azetidinylamino)-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)-2-thienyl]phenyl}ethyl]-2-methylbenzamid [German] [ACD/IUPAC Name]
5-(3-Azetidinylamino)-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)-2-thienyl]phenyl}ethyl]-2-methylbenzamide [ACD/IUPAC Name]
5-(3-Azétidinylamino)-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}méthyl)-2-thiényl]phényl}éthyl]-2-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 5-(3-azetidinylamino)-N-[(1R)-1-[3-[5-[[[(1R,3S)-3-hydroxycyclopentyl]amino]methyl]-2-thienyl]phenyl]ethyl]-2-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.7±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 398.2±5.0 cm3

Click to predict properties on the Chemicalize site


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