ChemSpider 2D Image | N'-[4-[[(2s,4r)-4-[3-[(C-Thiophen-2-Ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-Yl]methoxy]phenyl]thiophene-2-Carboximidamide | C27H27N5O2S2

N'-[4-[[(2s,4r)-4-[3-[(C-Thiophen-2-Ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-Yl]methoxy]phenyl]thiophene-2-Carboximidamide

  • Molecular FormulaC27H27N5O2S2
  • Average mass517.666 Da
  • Monoisotopic mass517.160645 Da
  • ChemSpider ID35034224

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Thiophenecarboximidamide, N-[3-[[(3R,5S)-5-[[4-[[(1E)-amino-2-thienylmethylene]amino]phenoxy]methyl]-3-pyrrolidinyl]oxy]phenyl]- [ACD/Index Name]
N-[3-({(3R,5S)-5-[(4-{(E)-[Amino(2-thienyl)methylen]amino}phenoxy)methyl]-3-pyrrolidinyl}oxy)phenyl]-2-thiophencarboximidamid [German] [ACD/IUPAC Name]
N-[3-({(3R,5S)-5-[(4-{(E)-[Amino(2-thienyl)methylene]amino}phenoxy)methyl]-3-pyrrolidinyl}oxy)phenyl]-2-thiophenecarboximidamide [ACD/IUPAC Name]
N-[3-({(3R,5S)-5-[(4-{(E)-[Amino(2-thiényl)méthylène]amino}phénoxy)méthyl]-3-pyrrolidinyl}oxy)phényl]-2-thiophènecarboximidamide [French] [ACD/IUPAC Name]
N'-[4-[[(2s,4r)-4-[3-[(C-Thiophen-2-Ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-Yl]methoxy]phenyl]thiophene-2-Carboximidamide
PQW

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

Density: 1.4±0.1 g/cm3
Boiling Point: 704.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.7±35.7 °C
Index of Refraction: 1.707
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 10.89
ACD/KOC (pH 7.4): 58.25
Polar Surface Area: 161 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 373.8±7.0 cm3

Click to predict properties on the Chemicalize site


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